methyl (3E,7E)-4,8,12-trimethyl-2-(phenylsulfonyl)trideca-3,7,11-trienoate

Systemtic Name: methyl (3E,7E)-4,8,12-trimethyl-2-(phenylsulfonyl)trideca-3,7,11-trienoate Openeye Name: methyl (3E,7E)-2-(benzenesulfonyl)-4,8,12-trimethyl-trideca-3,7,11-trienoate CAS Name: (3E,7E)-2-(benzenesulfonyl)-4,8,12-trimethyltrideca-3,7,11-trienoic acid methyl ester IUPAC Name: methyl (3E,7E)-2-(benzenesulfonyl)-4,8,12-trimethyltrideca-3,7,11-trienoate Traditional Name: (3E,7E)-2-besyl-4,8,12-trimethyl-trideca-3,7,11-trienoic acid methyl ester Formula: C23H32O4S MolecularWeight: 404.56278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CC(C(=O)OC)S(=O)(=O)C1=CC=CC=C1)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/C(C(=O)OC)S(=O)(=O)C1=CC=CC=C1)/C)/C)C

InChI

InChI=1S/C23H32O4S/c1-18(2)11-9-12-19(3)13-10-14-20(4)17-22(23(24)27-5)28(25,26)21-15-7-6-8-16-21/h6-8,11,13,15-17,22H,9-10,12,14H2,1-5H3/b19-13+,20-17+