[(E)-2-methyl-4-(4-methylphenyl)sulfonyl-7-oxidanyl-9-phenyl-non-4-en-3-yl] benzoate

Systemtic Name: [(E)-2-methyl-4-(4-methylphenyl)sulfonyl-7-oxidanyl-9-phenyl-non-4-en-3-yl] benzoate Openeye Name: [(E)-5-hydroxy-1-isopropyl-7-phenyl-2-(p-tolylsulfonyl)hept-2-enyl] benzoate CAS Name: benzoic acid [(E)-7-hydroxy-2-methyl-4-(4-methylphenyl)sulfonyl-9-phenylnon-4-en-3-yl] ester IUPAC Name: [(E)-7-hydroxy-2-methyl-4-(4-methylphenyl)sulfonyl-9-phenylnon-4-en-3-yl] benzoate Traditional Name: benzoic acid [(E)-5-hydroxy-1-isopropyl-7-phenyl-2-tosyl-hept-2-enyl] ester Formula: C30H34O5S MolecularWeight: 506.65296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CCC(CCC2=CC=CC=C2)O)C(C(C)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/CC(CCC2=CC=CC=C2)O)/C(C(C)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H34O5S/c1-22(2)29(35-30(32)25-12-8-5-9-13-25)28(36(33,34)27-19-14-23(3)15-20-27)21-18-26(31)17-16-24-10-6-4-7-11-24/h4-15,19-22,26,29,31H,16-18H2,1-3H3/b28-21+