methyl 5-[4-chloranyl-3-(5-methoxy-4,4-dimethyl-5-oxidanylidene-pentyl)sulfanyl-phenyl]sulfanyl-2,2-dimethyl-pentanoate

Systemtic Name: methyl 5-[4-chloranyl-3-(5-methoxy-4,4-dimethyl-5-oxidanylidene-pentyl)sulfanyl-phenyl]sulfanyl-2,2-dimethyl-pentanoate Openeye Name: methyl 5-[4-chloro-3-(5-methoxy-4,4-dimethyl-5-oxo-pentyl)sulfanyl-phenyl]sulfanyl-2,2-dimethyl-pentanoate CAS Name: 5-[[4-chloro-3-[(5-methoxy-4,4-dimethyl-5-oxopentyl)thio]phenyl]thio]-2,2-dimethylpentanoic acid methyl ester IUPAC Name: methyl 5-[4-chloro-3-(5-methoxy-4,4-dimethyl-5-oxopentyl)sulfanylphenyl]sulfanyl-2,2-dimethylpentanoate Traditional Name: 5-[[4-chloro-3-[(5-keto-5-methoxy-4,4-dimethyl-pentyl)thio]phenyl]thio]-2,2-dimethyl-valeric acid methyl ester Formula: C22H33ClO4S2 MolecularWeight: 461.07802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCSC1=CC(=C(C=C1)Cl)SCCCC(C)(C)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(CCCSC1=CC(=C(C=C1)Cl)SCCCC(C)(C)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H33ClO4S2/c1-21(2,19(24)26-5)11-7-13-28-16-9-10-17(23)18(15-16)29-14-8-12-22(3,4)20(25)27-6/h9-10,15H,7-8,11-14H2,1-6H3