2-[(2-carboxylato-6-methyl-phenyl)disulfanyl]-3-methyl-benzoate

Systemtic Name: 2-[(2-carboxylato-6-methyl-phenyl)disulfanyl]-3-methyl-benzoate Openeye Name: 2-[(2-carboxylato-6-methyl-phenyl)disulfanyl]-3-methyl-benzoate CAS Name: 2-[(2-carboxylato-6-methylphenyl)disulfanyl]-3-methylbenzoate IUPAC Name: 2-[(2-carboxylato-6-methylphenyl)disulfanyl]-3-methylbenzoate Traditional Name: 2-[(2-carboxylato-6-methyl-phenyl)disulfanyl]-3-methyl-benzoate Formula: C16H12O4S2-2 MolecularWeight: 332.39408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1SSC2=C(C=CC=C2C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1SSC2=C(C=CC=C2C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H14O4S2/c1-9-5-3-7-11(15(17)18)13(9)21-22-14-10(2)6-4-8-12(14)16(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)/p-2