3-(2-carboxy-5-sulfanyl-pentyl)-5-phenylmethoxy-benzoic acid

Systemtic Name: 3-(2-carboxy-5-sulfanyl-pentyl)-5-phenylmethoxy-benzoic acid Openeye Name: 3-benzyloxy-5-(2-carboxy-5-sulfanyl-pentyl)benzoic acid CAS Name: 3-(2-carboxy-5-mercaptopentyl)-5-phenylmethoxybenzoic acid IUPAC Name: 3-(2-carboxy-5-sulfanylpentyl)-5-phenylmethoxybenzoic acid Traditional Name: 3-benzoxy-5-(2-carboxy-5-mercapto-pentyl)benzoic acid Formula: C20H22O5S MolecularWeight: 374.45068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC(=C2)CC(CCCS)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC(=C2)CC(CCCS)C(=O)O)C(=O)O

InChI

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