methyl 4-[(E)-7-methoxy-7-oxidanylidene-1-[2-(4-phenoxybutoxy)phenyl]hept-2-en-4-yl]sulfanylbenzoate

Systemtic Name: methyl 4-[(E)-7-methoxy-7-oxidanylidene-1-[2-(4-phenoxybutoxy)phenyl]hept-2-en-4-yl]sulfanylbenzoate Openeye Name: methyl 4-[(E)-1-(3-methoxy-3-oxo-propyl)-4-[2-(4-phenoxybutoxy)phenyl]but-2-enyl]sulfanylbenzoate CAS Name: 4-[[(E)-7-methoxy-7-oxo-1-[2-(4-phenoxybutoxy)phenyl]hept-2-en-4-yl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-7-methoxy-7-oxo-1-[2-(4-phenoxybutoxy)phenyl]hept-2-en-4-yl]sulfanylbenzoate Traditional Name: 4-[[(E)-1-(3-keto-3-methoxy-propyl)-4-[2-(4-phenoxybutoxy)phenyl]but-2-enyl]thio]benzoic acid methyl ester Formula: C32H36O6S MolecularWeight: 548.68964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C=CCC1=CC=CC=C1OCCCCOC2=CC=CC=C2)SC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)CCC(/C=C/CC1=CC=CC=C1OCCCCOC2=CC=CC=C2)SC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C32H36O6S/c1-35-31(33)22-21-28(39-29-19-17-26(18-20-29)32(34)36-2)15-10-12-25-11-6-7-16-30(25)38-24-9-8-23-37-27-13-4-3-5-14-27/h3-7,10-11,13-20,28H,8-9,12,21-24H2,1-2H3/b15-10+