3-[4-[3-(carboxymethylsulfanyl)cyclohexa-1,3-dien-1-yl]phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[4-[3-(carboxymethylsulfanyl)cyclohexa-1,3-dien-1-yl]phenyl]sulfanylpropanoic acid Openeye Name: 3-[4-[3-(carboxymethylsulfanyl)cyclohexa-1,3-dien-1-yl]phenyl]sulfanylpropanoic acid CAS Name: 3-[[4-[3-(carboxymethylthio)-1-cyclohexa-1,3-dienyl]phenyl]thio]propanoic acid IUPAC Name: 3-[4-[3-(carboxymethylsulfanyl)cyclohexa-1,3-dien-1-yl]phenyl]sulfanylpropanoic acid Traditional Name: 3-[[4-[3-(carboxymethylthio)cyclohexa-1,3-dien-1-yl]phenyl]thio]propionic acid Formula: C17H18O4S2 MolecularWeight: 350.45242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)SCC(=O)O)C2=CC=C(C=C2)SCCC(=O)O

Isomeric SMILES

C1CC(=CC(=C1)SCC(=O)O)C2=CC=C(C=C2)SCCC(=O)O

InChI

InChI=1S/C17H18O4S2/c18-16(19)8-9-22-14-6-4-12(5-7-14)13-2-1-3-15(10-13)23-11-17(20)21/h3-7,10H,1-2,8-9,11H2,(H,18,19)(H,20,21)