7-(2-chlorophenyl)-2-sulfanyl-heptanoic acid

Systemtic Name: 7-(2-chlorophenyl)-2-sulfanyl-heptanoic acid Openeye Name: 7-(2-chlorophenyl)-2-sulfanyl-heptanoic acid CAS Name: 7-(2-chlorophenyl)-2-mercaptoheptanoic acid IUPAC Name: 7-(2-chlorophenyl)-2-sulfanylheptanoic acid Traditional Name: 7-(2-chlorophenyl)-2-mercapto-enanthic acid Formula: C13H17ClO2S MolecularWeight: 272.79088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCCCCC(C(=O)O)S)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CCCCCC(C(=O)O)S)Cl

InChI

InChI=1S/C13H17ClO2S/c14-11-8-5-4-7-10(11)6-2-1-3-9-12(17)13(15)16/h4-5,7-8,12,17H,1-3,6,9H2,(H,15,16)