methyl (E)-3-(4-methylphenyl)sulfinyl-6-phenylmethoxy-hex-2-enoate

Systemtic Name: methyl (E)-3-(4-methylphenyl)sulfinyl-6-phenylmethoxy-hex-2-enoate Openeye Name: methyl (E)-6-benzyloxy-3-(p-tolylsulfinyl)hex-2-enoate CAS Name: (E)-3-(4-methylphenyl)sulfinyl-6-phenylmethoxy-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-methylphenyl)sulfinyl-6-phenylmethoxyhex-2-enoate Traditional Name: (E)-6-benzoxy-3-(p-tolylsulfinyl)hex-2-enoic acid methyl ester Formula: C21H24O4S MolecularWeight: 372.47786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C(=CC(=O)OC)CCCOCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)/C(=C/C(=O)OC)/CCCOCC2=CC=CC=C2

InChI

InChI=1S/C21H24O4S/c1-17-10-12-19(13-11-17)26(23)20(15-21(22)24-2)9-6-14-25-16-18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14,16H2,1-2H3/b20-15+