(E)-9-(4-chlorophenyl)sulfanyl-2-methyl-non-4-enoic acid

Systemtic Name: (E)-9-(4-chlorophenyl)sulfanyl-2-methyl-non-4-enoic acid Openeye Name: (E)-9-(4-chlorophenyl)sulfanyl-2-methyl-non-4-enoic acid CAS Name: (E)-9-[(4-chlorophenyl)thio]-2-methyl-4-nonenoic acid IUPAC Name: (E)-9-(4-chlorophenyl)sulfanyl-2-methylnon-4-enoic acid Traditional Name: (E)-9-[(4-chlorophenyl)thio]-2-methyl-non-4-enoic acid Formula: C16H21ClO2S MolecularWeight: 312.85474

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CCCCCSC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CC(C/C=C/CCCCSC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C16H21ClO2S/c1-13(16(18)19)7-5-3-2-4-6-12-20-15-10-8-14(17)9-11-15/h3,5,8-11,13H,2,4,6-7,12H2,1H3,(H,18,19)/b5-3+