2-(2-acetyloxyphenyl)carbonylsulfanylbutanedioic acid

Systemtic Name: 2-(2-acetyloxyphenyl)carbonylsulfanylbutanedioic acid Openeye Name: 2-(2-acetoxybenzoyl)sulfanylbutanedioic acid CAS Name: 2-[[(2-acetyloxyphenyl)-oxomethyl]thio]butanedioic acid IUPAC Name: 2-(2-acetyloxybenzoyl)sulfanylbutanedioic acid Traditional Name: 2-[(2-acetoxybenzoyl)thio]succinic acid Formula: C13H12O7S MolecularWeight: 312.29518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H12O7S/c1-7(14)20-9-5-3-2-4-8(9)13(19)21-10(12(17)18)6-11(15)16/h2-5,10H,6H2,1H3,(H,15,16)(H,17,18)