2,12-dimethyl-2,3-bis[4-(2-methylpropyl)phenyl]-7-oxidanylidene-tridecanedioic acid

Systemtic Name: 2,12-dimethyl-2,3-bis[4-(2-methylpropyl)phenyl]-7-oxidanylidene-tridecanedioic acid Openeye Name: 2,3-bis(4-isobutylphenyl)-2,12-dimethyl-7-oxo-tridecanedioic acid CAS Name: 2,12-dimethyl-2,3-bis[4-(2-methylpropyl)phenyl]-7-oxotridecanedioic acid IUPAC Name: 2,12-dimethyl-2,3-bis[4-(2-methylpropyl)phenyl]-7-oxotridecanedioic acid Traditional Name: 2,3-bis(4-isobutylphenyl)-7-keto-2,12-dimethyl-brassylic acid Formula: C35H50O5 MolecularWeight: 550.7685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H50O5/c1-24(2)22-27-14-18-29(19-15-27)32(13-9-12-31(36)11-8-7-10-26(5)33(37)38)35(6,34(39)40)30-20-16-28(17-21-30)23-25(3)4/h14-21,24-26,32H,7-13,22-23H2,1-6H3,(H,37,38)(H,39,40)