tert-butyl (13E,16E)-22-(4-methylphenyl)sulfinyldocosa-13,16-dienoate

Systemtic Name: tert-butyl (13E,16E)-22-(4-methylphenyl)sulfinyldocosa-13,16-dienoate Openeye Name: tert-butyl (13E,16E)-22-(p-tolylsulfinyl)docosa-13,16-dienoate CAS Name: (13E,16E)-22-(4-methylphenyl)sulfinyldocosa-13,16-dienoic acid tert-butyl ester IUPAC Name: tert-butyl (13E,16E)-22-(4-methylphenyl)sulfinyldocosa-13,16-dienoate Traditional Name: (13E,16E)-22-(p-tolylsulfinyl)docosa-13,16-dienoic acid tert-butyl ester Formula: C33H54O3S MolecularWeight: 530.84506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H54O3S/c1-30-25-27-31(28-26-30)37(35)29-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-32(34)36-33(2,3)4/h7,9,13,15,25-28H,5-6,8,10-12,14,16-24,29H2,1-4H3/b9-7+,15-13+