2-[2-acetyloxy-5-(carboxymethyl)phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-acetyloxy-5-(carboxymethyl)phenyl]sulfanylbenzoic acid Openeye Name: 2-[2-acetoxy-5-(carboxymethyl)phenyl]sulfanylbenzoic acid CAS Name: 2-[[2-acetyloxy-5-(carboxymethyl)phenyl]thio]benzoic acid IUPAC Name: 2-[2-acetyloxy-5-(carboxymethyl)phenyl]sulfanylbenzoic acid Traditional Name: 2-[[2-acetoxy-5-(carboxymethyl)phenyl]thio]benzoic acid Formula: C17H14O6S MolecularWeight: 346.35446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC(=O)O)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)CC(=O)O)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H14O6S/c1-10(18)23-13-7-6-11(9-16(19)20)8-15(13)24-14-5-3-2-4-12(14)17(21)22/h2-8H,9H2,1H3,(H,19,20)(H,21,22)