3,13-dimethyl-2-methylidene-8-oxidanylidene-3,13-diphenyl-hexadecanedioic acid

Systemtic Name: 3,13-dimethyl-2-methylidene-8-oxidanylidene-3,13-diphenyl-hexadecanedioic acid Openeye Name: 3,13-dimethyl-2-methylene-8-oxo-3,13-diphenyl-hexadecanedioic acid CAS Name: 3,13-dimethyl-2-methylene-8-oxo-3,13-diphenylhexadecanedioic acid IUPAC Name: 3,13-dimethyl-2-methylidene-8-oxo-3,13-diphenylhexadecanedioic acid Traditional Name: 8-keto-3,13-dimethyl-2-methylene-3,13-diphenyl-thapsic acid Formula: C31H40O5 MolecularWeight: 492.6463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40O5/c1-24(29(35)36)31(3,26-16-8-5-9-17-26)22-13-11-19-27(32)18-10-12-21-30(2,23-20-28(33)34)25-14-6-4-7-15-25/h4-9,14-17H,1,10-13,18-23H2,2-3H3,(H,33,34)(H,35,36)