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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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