2-[(2-carboxyphenyl)sulfanylmethyl]butanedioic acid

Systemtic Name: 2-[(2-carboxyphenyl)sulfanylmethyl]butanedioic acid Openeye Name: 2-[(2-carboxyphenyl)sulfanylmethyl]butanedioic acid CAS Name: 2-[[(2-carboxyphenyl)thio]methyl]butanedioic acid IUPAC Name: 2-[(2-carboxyphenyl)sulfanylmethyl]butanedioic acid Traditional Name: 2-[[(2-carboxyphenyl)thio]methyl]succinic acid Formula: C12H12O6S MolecularWeight: 284.28508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H12O6S/c13-10(14)5-7(11(15)16)6-19-9-4-2-1-3-8(9)12(17)18/h1-4,7H,5-6H2,(H,13,14)(H,15,16)(H,17,18)