8-ethanoyl-2-(2-methylphenyl)-12-oxidanyl-heptadecanoic acid

Systemtic Name: 8-ethanoyl-2-(2-methylphenyl)-12-oxidanyl-heptadecanoic acid Openeye Name: 8-acetyl-12-hydroxy-2-(o-tolyl)heptadecanoic acid CAS Name: 8-acetyl-12-hydroxy-2-(2-methylphenyl)heptadecanoic acid IUPAC Name: 8-acetyl-12-hydroxy-2-(2-methylphenyl)heptadecanoic acid Traditional Name: 8-acetyl-12-hydroxy-2-(o-tolyl)heptadecanoic acid Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCCC(C1=CC=CC=C1C)C(=O)O)C(=O)C)O

Isomeric SMILES

CCCCCC(CCCC(CCCCCC(C1=CC=CC=C1C)C(=O)O)C(=O)C)O

InChI

InChI=1S/C26H42O4/c1-4-5-7-16-23(28)17-12-15-22(21(3)27)14-8-6-9-19-25(26(29)30)24-18-11-10-13-20(24)2/h10-11,13,18,22-23,25,28H,4-9,12,14-17,19H2,1-3H3,(H,29,30)