2,12-dimethyl-2,12-bis(4-methylphenyl)-7-oxidanylidene-tridecanedioic acid

Systemtic Name: 2,12-dimethyl-2,12-bis(4-methylphenyl)-7-oxidanylidene-tridecanedioic acid Openeye Name: 2,12-dimethyl-7-oxo-2,12-bis(p-tolyl)tridecanedioic acid CAS Name: 2,12-dimethyl-2,12-bis(4-methylphenyl)-7-oxotridecanedioic acid IUPAC Name: 2,12-dimethyl-2,12-bis(4-methylphenyl)-7-oxotridecanedioic acid Traditional Name: 7-keto-2,12-dimethyl-2,12-bis(p-tolyl)brassylic acid Formula: C29H38O5 MolecularWeight: 466.60902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)(CCCCC(=O)CCCCC(C)(C2=CC=C(C=C2)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C)(CCCCC(=O)CCCCC(C)(C2=CC=C(C=C2)C)C(=O)O)C(=O)O

InChI

InChI=1S/C29H38O5/c1-21-11-15-23(16-12-21)28(3,26(31)32)19-7-5-9-25(30)10-6-8-20-29(4,27(33)34)24-17-13-22(2)14-18-24/h11-18H,5-10,19-20H2,1-4H3,(H,31,32)(H,33,34)