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

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

CC1=CC(=C(C(=C1)C2=CC(=C(C=C2C)S)C(C)(C)C)C(C)(C)C)C(CCCCCCCCCC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC(=C(C=C2C)S)C(C)(C)C)C(C)(C)C)C(CCCCCCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C34H50O4S/c1-22-18-26(24(32(37)38)16-14-12-10-9-11-13-15-17-30(35)36)31(34(6,7)8)27(19-22)25-21-28(33(3,4)5)29(39)20-23(25)2/h18-21,24,39H,9-17H2,1-8H3,(H,35,36)(H,37,38)