tert-butyl (7E,10E)-16-(4-methylphenyl)sulfinylhexadeca-7,10-dienoate

Systemtic Name: tert-butyl (7E,10E)-16-(4-methylphenyl)sulfinylhexadeca-7,10-dienoate Openeye Name: tert-butyl (7E,10E)-16-(p-tolylsulfinyl)hexadeca-7,10-dienoate CAS Name: (7E,10E)-16-(4-methylphenyl)sulfinylhexadeca-7,10-dienoic acid tert-butyl ester IUPAC Name: tert-butyl (7E,10E)-16-(4-methylphenyl)sulfinylhexadeca-7,10-dienoate Traditional Name: (7E,10E)-16-(p-tolylsulfinyl)hexadeca-7,10-dienoic acid tert-butyl ester Formula: C27H42O3S MolecularWeight: 446.68558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CCCCCC=CCC=CCCCCCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)CCCCC/C=C/C/C=C/CCCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C27H42O3S/c1-24-19-21-25(22-20-24)31(29)23-17-15-13-11-9-7-5-6-8-10-12-14-16-18-26(28)30-27(2,3)4/h6-9,19-22H,5,10-18,23H2,1-4H3/b8-6+,9-7+