4,14-dimethyl-17-oxidanyl-9-oxidanylidene-4,14-diphenyl-heptadecanoic acid

Systemtic Name: 4,14-dimethyl-17-oxidanyl-9-oxidanylidene-4,14-diphenyl-heptadecanoic acid Openeye Name: 17-hydroxy-4,14-dimethyl-9-oxo-4,14-diphenyl-heptadecanoic acid CAS Name: 17-hydroxy-4,14-dimethyl-9-oxo-4,14-diphenylheptadecanoic acid IUPAC Name: 17-hydroxy-4,14-dimethyl-9-oxo-4,14-diphenylheptadecanoic acid Traditional Name: 17-hydroxy-9-keto-4,14-dimethyl-4,14-diphenyl-heptadecanoic acid Formula: C31H44O4 MolecularWeight: 480.67866

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(=O)CCCCC(C)(CCC(=O)O)C1=CC=CC=C1)(CCCO)C2=CC=CC=C2

Isomeric SMILES

CC(CCCCC(=O)CCCCC(C)(CCC(=O)O)C1=CC=CC=C1)(CCCO)C2=CC=CC=C2

InChI

InChI=1S/C31H44O4/c1-30(23-13-25-32,26-14-5-3-6-15-26)21-11-9-18-28(33)19-10-12-22-31(2,24-20-29(34)35)27-16-7-4-8-17-27/h3-8,14-17,32H,9-13,18-25H2,1-2H3,(H,34,35)