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3-[3-(2-carboxy-5-sulfanyl-pentyl)phenyl]benzoic acid

3-[3-(2-carboxy-5-sulfanyl-pentyl)phenyl]benzoic acid

Systemtic Name:3-[3-(2-carboxy-5-sulfanyl-pentyl)phenyl]benzoic acid
Openeye Name:3-[3-(2-carboxy-5-sulfanyl-pentyl)phenyl]benzoic acid
CAS Name:3-[3-(2-carboxy-5-mercaptopentyl)phenyl]benzoic acid
IUPAC Name:3-[3-(2-carboxy-5-sulfanylpentyl)phenyl]benzoic acid
Traditional Name:3-[3-(2-carboxy-5-mercapto-pentyl)phenyl]benzoic acid
Formula: C19H20O4S
MolecularWeight: 344.4247
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H20O4S/c20-18(21)16(8-3-9-24)11-13-4-1-5-14(10-13)15-6-2-7-17(12-15)19(22)23/h1-2,4-7,10,12,16,24H,3,8-9,11H2,(H,20,21)(H,22,23)


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