8-ethanoyl-12-methyl-12-oxidanyl-8-phenyl-heptadecanoic acid

Systemtic Name: 8-ethanoyl-12-methyl-12-oxidanyl-8-phenyl-heptadecanoic acid Openeye Name: 8-acetyl-12-hydroxy-12-methyl-8-phenyl-heptadecanoic acid CAS Name: 8-acetyl-12-hydroxy-12-methyl-8-phenylheptadecanoic acid IUPAC Name: 8-acetyl-12-hydroxy-12-methyl-8-phenylheptadecanoic acid Traditional Name: 8-acetyl-12-hydroxy-12-methyl-8-phenyl-heptadecanoic acid Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O4/c1-4-5-12-18-25(3,30)19-14-21-26(22(2)27,23-15-9-8-10-16-23)20-13-7-6-11-17-24(28)29/h8-10,15-16,30H,4-7,11-14,17-21H2,1-3H3,(H,28,29)