3-(carboxymethylsulfanyl)-4-chloranyl-benzoic acid

Systemtic Name: 3-(carboxymethylsulfanyl)-4-chloranyl-benzoic acid Openeye Name: 3-(carboxymethylsulfanyl)-4-chloro-benzoic acid CAS Name: 3-(carboxymethylthio)-4-chlorobenzoic acid IUPAC Name: 3-(carboxymethylsulfanyl)-4-chlorobenzoic acid Traditional Name: 3-(carboxymethylthio)-4-chloro-benzoic acid Formula: C9H7ClO4S MolecularWeight: 246.66748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)SCC(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)SCC(=O)O)Cl

InChI

InChI=1S/C9H7ClO4S/c10-6-2-1-5(9(13)14)3-7(6)15-4-8(11)12/h1-3H,4H2,(H,11,12)(H,13,14)