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2,12-dimethyl-7-oxidanylidene-2,12-diphenyl-tridecanedioic acid

2,12-dimethyl-7-oxidanylidene-2,12-diphenyl-tridecanedioic acid

Systemtic Name:2,12-dimethyl-7-oxidanylidene-2,12-diphenyl-tridecanedioic acid
Openeye Name:2,12-dimethyl-7-oxo-2,12-diphenyl-tridecanedioic acid
CAS Name:2,12-dimethyl-7-oxo-2,12-diphenyltridecanedioic acid
IUPAC Name:2,12-dimethyl-7-oxo-2,12-diphenyltridecanedioic acid
Traditional Name:7-keto-2,12-dimethyl-2,12-diphenyl-brassylic acid
Formula: C27H34O5
MolecularWeight: 438.55586
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H34O5/c1-26(24(29)30,21-13-5-3-6-14-21)19-11-9-17-23(28)18-10-12-20-27(2,25(31)32)22-15-7-4-8-16-22/h3-8,13-16H,9-12,17-20H2,1-2H3,(H,29,30)(H,31,32)


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