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

Systemtic Name: 2,12-dimethyl-2-[4-(2-methylpropyl)phenyl]-7-oxidanylidene-tridecanedioic acid Openeye Name: 2-(4-isobutylphenyl)-2,12-dimethyl-7-oxo-tridecanedioic acid CAS Name: 2,12-dimethyl-2-[4-(2-methylpropyl)phenyl]-7-oxotridecanedioic acid IUPAC Name: 2,12-dimethyl-2-[4-(2-methylpropyl)phenyl]-7-oxotridecanedioic acid Traditional Name: 2-(4-isobutylphenyl)-7-keto-2,12-dimethyl-brassylic acid Formula: C25H38O5 MolecularWeight: 418.56622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38O5/c1-18(2)17-20-12-14-21(15-13-20)25(4,24(29)30)16-8-7-11-22(26)10-6-5-9-19(3)23(27)28/h12-15,18-19H,5-11,16-17H2,1-4H3,(H,27,28)(H,29,30)