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

Systemtic Name: (E)-9-(4-chlorophenyl)sulfanyl-2,2-dimethyl-non-4-enoic acid Openeye Name: (E)-9-(4-chlorophenyl)sulfanyl-2,2-dimethyl-non-4-enoic acid CAS Name: (E)-9-[(4-chlorophenyl)thio]-2,2-dimethyl-4-nonenoic acid IUPAC Name: (E)-9-(4-chlorophenyl)sulfanyl-2,2-dimethylnon-4-enoic acid Traditional Name: (E)-9-[(4-chlorophenyl)thio]-2,2-dimethyl-non-4-enoic acid Formula: C17H23ClO2S MolecularWeight: 326.88132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClO2S/c1-17(2,16(19)20)12-6-4-3-5-7-13-21-15-10-8-14(18)9-11-15/h4,6,8-11H,3,5,7,12-13H2,1-2H3,(H,19,20)/b6-4+