2-(4-methyl-2-sulfanyl-phenyl)-2-[4-[2-(4-methyl-2-sulfanyl-phenyl)-1-oxidanidyl-1-oxidanylidene-butan-2-yl]phenyl]butanoate

Systemtic Name: 2-(4-methyl-2-sulfanyl-phenyl)-2-[4-[2-(4-methyl-2-sulfanyl-phenyl)-1-oxidanidyl-1-oxidanylidene-butan-2-yl]phenyl]butanoate Openeye Name: 2-[4-[1-carboxylato-1-(4-methyl-2-sulfanyl-phenyl)propyl]phenyl]-2-(4-methyl-2-sulfanyl-phenyl)butanoate CAS Name: 2-(2-mercapto-4-methylphenyl)-2-[4-[2-(2-mercapto-4-methylphenyl)-1-oxido-1-oxobutan-2-yl]phenyl]butanoate IUPAC Name: 2-(4-methyl-2-sulfanylphenyl)-2-[4-[2-(4-methyl-2-sulfanylphenyl)-1-oxido-1-oxobutan-2-yl]phenyl]butanoate Traditional Name: 2-[4-[1-carboxylato-1-(2-mercapto-4-methyl-phenyl)propyl]phenyl]-2-(2-mercapto-4-methyl-phenyl)butyrate Formula: C28H28O4S2-2 MolecularWeight: 492.64952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C(CC)(C2=C(C=C(C=C2)C)S)C(=O)[O-])(C3=C(C=C(C=C3)C)S)C(=O)[O-]

Isomeric SMILES

CCC(C1=CC=C(C=C1)C(CC)(C2=C(C=C(C=C2)C)S)C(=O)[O-])(C3=C(C=C(C=C3)C)S)C(=O)[O-]

InChI

InChI=1S/C28H30O4S2/c1-5-27(25(29)30,21-13-7-17(3)15-23(21)33)19-9-11-20(12-10-19)28(6-2,26(31)32)22-14-8-18(4)16-24(22)34/h7-16,33-34H,5-6H2,1-4H3,(H,29,30)(H,31,32)/p-2