3-[1-[3-(2-carboxyethyl)phenoxy]-4-sulfanyl-butyl]benzoic acid

Systemtic Name: 3-[1-[3-(2-carboxyethyl)phenoxy]-4-sulfanyl-butyl]benzoic acid Openeye Name: 3-[1-[3-(2-carboxyethyl)phenoxy]-4-sulfanyl-butyl]benzoic acid CAS Name: 3-[1-[3-(2-carboxyethyl)phenoxy]-4-mercaptobutyl]benzoic acid IUPAC Name: 3-[1-[3-(2-carboxyethyl)phenoxy]-4-sulfanylbutyl]benzoic acid Traditional Name: 3-[1-[3-(2-carboxyethyl)phenoxy]-4-mercapto-butyl]benzoic acid Formula: C20H22O5S MolecularWeight: 374.45068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(CCCS)C2=CC=CC(=C2)C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OC(CCCS)C2=CC=CC(=C2)C(=O)O)CCC(=O)O

InChI

InChI=1S/C20H22O5S/c21-19(22)10-9-14-4-1-7-17(12-14)25-18(8-3-11-26)15-5-2-6-16(13-15)20(23)24/h1-2,4-7,12-13,18,26H,3,8-11H2,(H,21,22)(H,23,24)