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2-[4-(2-carboxy-5-sulfanyl-pentyl)phenyl]benzoic acid

2-[4-(2-carboxy-5-sulfanyl-pentyl)phenyl]benzoic acid

Systemtic Name:2-[4-(2-carboxy-5-sulfanyl-pentyl)phenyl]benzoic acid
Openeye Name:2-[4-(2-carboxy-5-sulfanyl-pentyl)phenyl]benzoic acid
CAS Name:2-[4-(2-carboxy-5-mercaptopentyl)phenyl]benzoic acid
IUPAC Name:2-[4-(2-carboxy-5-sulfanylpentyl)phenyl]benzoic acid
Traditional Name:2-[4-(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=C(C(=C1)C2=CC=C(C=C2)CC(CCCS)C(=O)O)C(=O)O


Isomeric SMILES

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


InChI

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


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