4-(4-ethanoyl-9,9-dimethyl-8-oxidanyl-tridecyl)benzoic acid

Systemtic Name: 4-(4-ethanoyl-9,9-dimethyl-8-oxidanyl-tridecyl)benzoic acid Openeye Name: 4-(4-acetyl-8-hydroxy-9,9-dimethyl-tridecyl)benzoic acid CAS Name: 4-(4-acetyl-8-hydroxy-9,9-dimethyltridecyl)benzoic acid IUPAC Name: 4-(4-acetyl-8-hydroxy-9,9-dimethyltridecyl)benzoic acid Traditional Name: 4-(4-acetyl-8-hydroxy-9,9-dimethyl-tridecyl)benzoic acid Formula: C24H38O4 MolecularWeight: 390.55612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CCCC(CCCC1=CC=C(C=C1)C(=O)O)C(=O)C)O

Isomeric SMILES

CCCCC(C)(C)C(CCCC(CCCC1=CC=C(C=C1)C(=O)O)C(=O)C)O

InChI

InChI=1S/C24H38O4/c1-5-6-17-24(3,4)22(26)12-8-11-20(18(2)25)10-7-9-19-13-15-21(16-14-19)23(27)28/h13-16,20,22,26H,5-12,17H2,1-4H3,(H,27,28)