2-[[3-(carboxymethyl)phenyl]sulfanylmethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[3-(carboxymethyl)phenyl]sulfanylmethyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[3-(carboxymethyl)phenyl]sulfanylmethyl]cyclohexanecarboxylic acid CAS Name: 2-[[[3-(carboxymethyl)phenyl]thio]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[3-(carboxymethyl)phenyl]sulfanylmethyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[[3-(carboxymethyl)phenyl]thio]methyl]cyclohexanecarboxylic acid Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CSC2=CC=CC(=C2)CC(=O)O)C(=O)O

Isomeric SMILES

C1CCC(C(C1)CSC2=CC=CC(=C2)CC(=O)O)C(=O)O

InChI

InChI=1S/C16H20O4S/c17-15(18)9-11-4-3-6-13(8-11)21-10-12-5-1-2-7-14(12)16(19)20/h3-4,6,8,12,14H,1-2,5,7,9-10H2,(H,17,18)(H,19,20)