ethyl (E)-2-(4-methylphenyl)sulfonyl-7-phenyl-hept-6-enoate

Systemtic Name: ethyl (E)-2-(4-methylphenyl)sulfonyl-7-phenyl-hept-6-enoate Openeye Name: ethyl (E)-7-phenyl-2-(p-tolylsulfonyl)hept-6-enoate CAS Name: (E)-2-(4-methylphenyl)sulfonyl-7-phenyl-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-2-(4-methylphenyl)sulfonyl-7-phenylhept-6-enoate Traditional Name: (E)-7-phenyl-2-tosyl-hept-6-enoic acid ethyl ester Formula: C22H26O4S MolecularWeight: 386.50444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC=CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(CCC/C=C/C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H26O4S/c1-3-26-22(23)21(27(24,25)20-16-14-18(2)15-17-20)13-9-5-8-12-19-10-6-4-7-11-19/h4,6-8,10-12,14-17,21H,3,5,9,13H2,1-2H3/b12-8+