7-(1,3-dithian-2-yl)-2,12-dimethyl-2-[4-(2-methylpropyl)phenyl]tridecanedioic acid

Systemtic Name: 7-(1,3-dithian-2-yl)-2,12-dimethyl-2-[4-(2-methylpropyl)phenyl]tridecanedioic acid Openeye Name: 7-(1,3-dithian-2-yl)-2-(4-isobutylphenyl)-2,12-dimethyl-tridecanedioic acid CAS Name: 7-(1,3-dithian-2-yl)-2,12-dimethyl-2-[4-(2-methylpropyl)phenyl]tridecanedioic acid IUPAC Name: 7-(1,3-dithian-2-yl)-2,12-dimethyl-2-[4-(2-methylpropyl)phenyl]tridecanedioic acid Traditional Name: 7-(1,3-dithian-2-yl)-2-(4-isobutylphenyl)-2,12-dimethyl-brassylic acid Formula: C29H46O4S2 MolecularWeight: 522.80314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)(CCCCC(CCCCC(C)C(=O)O)C2SCCCS2)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)(CCCCC(CCCCC(C)C(=O)O)C2SCCCS2)C(=O)O

InChI

InChI=1S/C29H46O4S2/c1-21(2)20-23-13-15-25(16-14-23)29(4,28(32)33)17-8-7-12-24(27-34-18-9-19-35-27)11-6-5-10-22(3)26(30)31/h13-16,21-22,24,27H,5-12,17-20H2,1-4H3,(H,30,31)(H,32,33)