2-(3-carboxyphenyl)-5-(ethanoylsulfanylmethyl)benzoic acid

Systemtic Name: 2-(3-carboxyphenyl)-5-(ethanoylsulfanylmethyl)benzoic acid Openeye Name: 5-(acetylsulfanylmethyl)-2-(3-carboxyphenyl)benzoic acid CAS Name: 5-[(acetylthio)methyl]-2-(3-carboxyphenyl)benzoic acid IUPAC Name: 5-(acetylsulfanylmethyl)-2-(3-carboxyphenyl)benzoic acid Traditional Name: 5-[(acetylthio)methyl]-2-(3-carboxyphenyl)benzoic acid Formula: C17H14O5S MolecularWeight: 330.35506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC(=C(C=C1)C2=CC(=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)SCC1=CC(=C(C=C1)C2=CC(=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H14O5S/c1-10(18)23-9-11-5-6-14(15(7-11)17(21)22)12-3-2-4-13(8-12)16(19)20/h2-8H,9H2,1H3,(H,19,20)(H,21,22)