[3-(4,4-dimethyl-3-oxidanylidene-dodecanoyl)-4-oxidanyl-phenyl] benzoate

Systemtic Name: [3-(4,4-dimethyl-3-oxidanylidene-dodecanoyl)-4-oxidanyl-phenyl] benzoate Openeye Name: [3-(4,4-dimethyl-3-oxo-dodecanoyl)-4-hydroxy-phenyl] benzoate CAS Name: benzoic acid [3-(4,4-dimethyl-1,3-dioxododecyl)-4-hydroxyphenyl] ester IUPAC Name: [3-(4,4-dimethyl-3-oxododecanoyl)-4-hydroxyphenyl] benzoate Traditional Name: benzoic acid [4-hydroxy-3-(3-keto-4,4-dimethyl-dodecanoyl)phenyl] ester Formula: C27H34O5 MolecularWeight: 438.55586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)(C)C(=O)CC(=O)C1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCC(C)(C)C(=O)CC(=O)C1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C27H34O5/c1-4-5-6-7-8-12-17-27(2,3)25(30)19-24(29)22-18-21(15-16-23(22)28)32-26(31)20-13-10-9-11-14-20/h9-11,13-16,18,28H,4-8,12,17,19H2,1-3H3