1. Primary Information
| English name: | - |
| CAS No.: | 8002-03-7 |
| Molecular formula: | - |
| Molecular weight: | - g/mol |
| SMILES: | - |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100ml | 99% | 120 | RT | in stock | - |
| Kehua Intelligence | 500ml | 99% | 360 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
5-[3-[2-[3-(4-chlorophenyl)-2-methylphenyl]ethenyl]-4-methylphenyl]-3-(hydroxymethyl)-3-methylpentan-2-one;5-[3-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]ethenyl]-4-fluorophenyl]-3-(hydroxymethyl)pentan-2-one;5-[3-[2-[3-(3-fluorophenyl)-2-methylphenyl]ethenyl]-4-methylphenyl]-3-(hydroxymethyl)-3-methylpentan-2-one;5-[3-[2-[3-(4-fluorophenyl)-2-methylphenyl]ethenyl]-4-methylphenyl]-3-(hydroxymethyl)-3-methylpentan-2-one;5-[3-[2-[3-(2-fluorophenyl)-2-methylphenyl]ethenyl]-4-methylphenyl]-3-(hydroxymethyl)pentan-2-one;3-(hydroxymethyl)-5-[3-[2-[3-(4-methoxyphenyl)-2-methylphenyl]ethenyl]-4-methylphenyl]-3-methylpentan-2-one;3-(hydroxymethyl)-3-methyl-5-[4-methyl-3-[2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]pentan-2-one
4.2 InChI
InChI=1S/C30H34O3.C29H31ClO2.C29H29FO4.2C29H31FO2.C29H32O2.C28H29FO2/c1-21-9-10-24(17-18-30(4,20-31)23(3)32)19-27(21)12-11-25-7-6-8-29(22(25)2)26-13-15-28(33-5)16-14-26;1-20-8-9-23(16-17-29(4,19-31)22(3)32)18-26(20)11-10-24-6-5-7-28(21(24)2)25-12-14-27(30)15-13-25;1-19-22(4-3-5-26(19)23-11-13-28-29(17-23)34-15-14-33-28)9-10-24-16-21(7-12-27(24)30)6-8-25(18-31)20(2)32;1-20-11-12-23(15-16-29(4,19-31)22(3)32)17-25(20)14-13-24-7-6-10-28(21(24)2)26-8-5-9-27(30)18-26;1-20-8-9-23(16-17-29(4,19-31)22(3)32)18-26(20)11-10-24-6-5-7-28(21(24)2)25-12-14-27(30)15-13-25;1-21-13-14-24(17-18-29(4,20-30)23(3)31)19-27(21)16-15-25-11-8-12-28(22(25)2)26-9-6-5-7-10-26;1-19-11-12-22(13-14-25(18-30)21(3)31)17-24(19)16-15-23-7-6-9-26(20(23)2)27-8-4-5-10-28(27)29/h6-16,19,31H,17-18,20H2,1-5H3;5-15,18,31H,16-17,19H2,1-4H3;3-5,7,9-13,16-17,25,31H,6,8,14-15,18H2,1-2H3;5-14,17-18,31H,15-16,19H2,1-4H3;5-15,18,31H,16-17,19H2,1-4H3;5-16,19,30H,17-18,20H2,1-4H3;4-12,15-17,25,30H,13-14,18H2,1-3H3
4.3 InChIKey
JTRRTAHTZSQJEI-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=C(C=C(C=C1)CCC(CO)C(=O)C)C=CC2=C(C(=CC=C2)C3=CC=CC=C3F)C.CC1=C(C=C(C=C1)CCC(C)(CO)C(=O)C)C=CC2=C(C(=CC=C2)C3=CC=CC=C3)C.CC1=C(C=C(C=C1)CCC(C)(CO)C(=O)C)C=CC2=C(C(=CC=C2)C3=CC=C(C=C3)OC)C.CC1=C(C=C(C=C1)CCC(C)(CO)C(=O)C)C=CC2=C(C(=CC=C2)C3=CC=C(C=C3)F)C.CC1=C(C=C(C=C1)CCC(C)(CO)C(=O)C)C=CC2=C(C(=CC=C2)C3=CC=C(C=C3)Cl)C.CC1=C(C=C(C=C1)CCC(C)(CO)C(=O)C)C=CC2=C(C(=CC=C2)C3=CC(=CC=C3)F)C.CC1=C(C=CC=C1C2=CC3=C(C=C2)OCCO3)C=CC4=C(C=CC(=C4)CCC(CO)C(=O)C)F
4.5 Isomeric SMILES
-