6-(4-chlorophenyl)sulfanyl-5-oxidanyl-hexadecanoic acid

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-5-oxidanyl-hexadecanoic acid Openeye Name: 6-(4-chlorophenyl)sulfanyl-5-hydroxy-hexadecanoic acid CAS Name: 6-[(4-chlorophenyl)thio]-5-hydroxyhexadecanoic acid IUPAC Name: 6-(4-chlorophenyl)sulfanyl-5-hydroxyhexadecanoic acid Traditional Name: 6-[(4-chlorophenyl)thio]-5-hydroxy-palmitic acid Formula: C22H35ClO3S MolecularWeight: 415.0295

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(CCCC(=O)O)O)SC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCCCCCCCCC(C(CCCC(=O)O)O)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C22H35ClO3S/c1-2-3-4-5-6-7-8-9-12-21(20(24)11-10-13-22(25)26)27-19-16-14-18(23)15-17-19/h14-17,20-21,24H,2-13H2,1H3,(H,25,26)