methyl 6-(3-bromophenyl)-6-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-methyl-hexanoate

Systemtic Name: methyl 6-(3-bromophenyl)-6-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-methyl-hexanoate Openeye Name: methyl 6-(3-bromophenyl)-6-(3-methoxy-3-oxo-propyl)sulfanyl-3-methyl-hexanoate CAS Name: 6-(3-bromophenyl)-6-[(3-methoxy-3-oxopropyl)thio]-3-methylhexanoic acid methyl ester IUPAC Name: methyl 6-(3-bromophenyl)-6-(3-methoxy-3-oxopropyl)sulfanyl-3-methylhexanoate Traditional Name: 6-(3-bromophenyl)-6-[(3-keto-3-methoxy-propyl)thio]-3-methyl-hexanoic acid methyl ester Formula: C18H25BrO4S MolecularWeight: 417.3577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C1=CC(=CC=C1)Br)SCCC(=O)OC)CC(=O)OC

Isomeric SMILES

CC(CCC(C1=CC(=CC=C1)Br)SCCC(=O)OC)CC(=O)OC

InChI

InChI=1S/C18H25BrO4S/c1-13(11-18(21)23-3)7-8-16(24-10-9-17(20)22-2)14-5-4-6-15(19)12-14/h4-6,12-13,16H,7-11H2,1-3H3