2-[3-butyl-2-(5-tert-butyl-2-methyl-4-sulfanyl-phenyl)-5-methyl-phenyl]dodecanedioic acid

Systemtic Name: 2-[3-butyl-2-(5-tert-butyl-2-methyl-4-sulfanyl-phenyl)-5-methyl-phenyl]dodecanedioic acid Openeye Name: 2-[3-butyl-2-(5-tert-butyl-2-methyl-4-sulfanyl-phenyl)-5-methyl-phenyl]dodecanedioic acid CAS Name: 2-[3-butyl-2-(5-tert-butyl-4-mercapto-2-methylphenyl)-5-methylphenyl]dodecanedioic acid IUPAC Name: 2-[3-butyl-2-(5-tert-butyl-2-methyl-4-sulfanylphenyl)-5-methylphenyl]dodecanedioic acid Traditional Name: 2-[3-butyl-2-(5-tert-butyl-4-mercapto-2-methyl-phenyl)-5-methyl-phenyl]dodecanedioic acid Formula: C34H50O4S MolecularWeight: 554.8234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1)C)C(CCCCCCCCCC(=O)O)C(=O)O)C2=CC(=C(C=C2C)S)C(C)(C)C

Isomeric SMILES

CCCCC1=C(C(=CC(=C1)C)C(CCCCCCCCCC(=O)O)C(=O)O)C2=CC(=C(C=C2C)S)C(C)(C)C

InChI

InChI=1S/C34H50O4S/c1-7-8-16-25-19-23(2)20-28(32(25)27-22-29(34(4,5)6)30(39)21-24(27)3)26(33(37)38)17-14-12-10-9-11-13-15-18-31(35)36/h19-22,26,39H,7-18H2,1-6H3,(H,35,36)(H,37,38)