CAS No.: 4065-45-6 — Sulisobenzone (2-羟基-4-甲氧基-5-磺酸二苯甲酮)

1. Primary Information

English name:	Sulisobenzone
CAS No.:	4065-45-6
Molecular formula:	C₁₄H₁₂O₆S
Molecular weight:	308.31 g/mol
SMILES:	COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O
Structural class:
Other identifiers:	2-hydroxy-4-methoxybenzophenone-5-sulfonic acid 5-benzoyl-4-hydroxy-2-methoxybenzene sulfonic acid benzophenone-4 BP-4 benzophenone sulisobenzone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	99%	320	2-8℃	in stock	-
Kehua Intelligence	10g	98%	22	2-8℃	in stock	-
Kehua Intelligence	50g	98%	70	2-8℃	in stock	-
Kehua Intelligence	250g	98%	217	2-8℃	in stock	-
Kehua Intelligence	500g	98%	364	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 34 0 0 0 0 0 0 0999 V2000 -3.0753 -1.5668 0.4127 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5922 1.1995 -0.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8002 2.8697 0.0548 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3431 -2.0295 -1.1315 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 0.6341 2.3251 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4104 -2.6748 1.0806 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3114 -1.0133 0.9409 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9353 -0.2448 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2616 0.6108 0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6269 -0.4369 0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3196 0.9896 -0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 1.8391 0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 2.0313 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6579 0.3837 1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7121 -0.1102 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -0.3896 -1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9987 -0.3044 0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4483 -0.8632 -1.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 -0.7779 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7347 -1.0573 -1.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8601 0.9110 -2.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3011 -1.3877 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6947 2.9937 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4507 -0.2527 -1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2394 -0.0944 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2346 -1.0808 -2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0120 -0.9292 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6599 2.6086 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5221 -1.4260 -2.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0847 0.2887 -2.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9327 1.8537 -2.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8204 0.3922 -2.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5494 -2.3509 -1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 2 21 1 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 33 1 0 0 0 0 5 14 2 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 17 19 2 0 0 0 0 17 25 1 0 0 0 0 18 20 2 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid

4.2 InChI

InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)