bis[6-tert-butyl-2,4-dimethyl-3-(sulfanylmethyl)phenyl] benzene-1,4-dicarboxylate

Systemtic Name: bis[6-tert-butyl-2,4-dimethyl-3-(sulfanylmethyl)phenyl] benzene-1,4-dicarboxylate Openeye Name: bis[6-tert-butyl-2,4-dimethyl-3-(sulfanylmethyl)phenyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis[6-tert-butyl-3-(mercaptomethyl)-2,4-dimethylphenyl] ester IUPAC Name: bis[6-tert-butyl-2,4-dimethyl-3-(sulfanylmethyl)phenyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[6-tert-butyl-3-(mercaptomethyl)-2,4-dimethyl-phenyl] ester Formula: C34H42O4S2 MolecularWeight: 578.82488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CS)C)OC(=O)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C(=C3C)CS)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1CS)C)OC(=O)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C(=C3C)CS)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C34H42O4S2/c1-19-15-27(33(5,6)7)29(21(3)25(19)17-39)37-31(35)23-11-13-24(14-12-23)32(36)38-30-22(4)26(18-40)20(2)16-28(30)34(8,9)10/h11-16,39-40H,17-18H2,1-10H3