3-[2-(carboxymethylsulfanyl)ethoxy]benzoic acid

Systemtic Name: 3-[2-(carboxymethylsulfanyl)ethoxy]benzoic acid Openeye Name: 3-[2-(carboxymethylsulfanyl)ethoxy]benzoic acid CAS Name: 3-[2-(carboxymethylthio)ethoxy]benzoic acid IUPAC Name: 3-[2-(carboxymethylsulfanyl)ethoxy]benzoic acid Traditional Name: 3-[2-(carboxymethylthio)ethoxy]benzoic acid Formula: C11H12O5S MolecularWeight: 256.27498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCSCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCCSCC(=O)O)C(=O)O

InChI

InChI=1S/C11H12O5S/c12-10(13)7-17-5-4-16-9-3-1-2-8(6-9)11(14)15/h1-3,6H,4-5,7H2,(H,12,13)(H,14,15)