1-methyl-4-[(E)-7-phenylmethoxy-1-phenylsulfanyl-hept-2-en-2-yl]sulfonyl-benzene

Systemtic Name: 1-methyl-4-[(E)-7-phenylmethoxy-1-phenylsulfanyl-hept-2-en-2-yl]sulfonyl-benzene Openeye Name: 1-[(E)-6-benzyloxy-1-(phenylsulfanylmethyl)hex-1-enyl]sulfonyl-4-methyl-benzene CAS Name: 1-methyl-4-[(E)-7-phenylmethoxy-1-(phenylthio)hept-2-en-2-yl]sulfonylbenzene IUPAC Name: 1-methyl-4-[(E)-7-phenylmethoxy-1-phenylsulfanylhept-2-en-2-yl]sulfonylbenzene Traditional Name: 1-[(E)-6-benzoxy-1-[(phenylthio)methyl]hex-1-enyl]sulfonyl-4-methyl-benzene Formula: C27H30O3S2 MolecularWeight: 466.6553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CCCCCOCC2=CC=CC=C2)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/CCCCOCC2=CC=CC=C2)/CSC3=CC=CC=C3

InChI

InChI=1S/C27H30O3S2/c1-23-16-18-26(19-17-23)32(28,29)27(22-31-25-13-7-3-8-14-25)15-9-4-10-20-30-21-24-11-5-2-6-12-24/h2-3,5-8,11-19H,4,9-10,20-22H2,1H3/b27-15+