tert-butyl (11E,14E)-20-(2-methylphenyl)sulfinylicosa-11,14-dienoate

Systemtic Name: tert-butyl (11E,14E)-20-(2-methylphenyl)sulfinylicosa-11,14-dienoate Openeye Name: tert-butyl (11E,14E)-20-(o-tolylsulfinyl)icosa-11,14-dienoate CAS Name: (11E,14E)-20-(2-methylphenyl)sulfinyleicosa-11,14-dienoic acid tert-butyl ester IUPAC Name: tert-butyl (11E,14E)-20-(2-methylphenyl)sulfinylicosa-11,14-dienoate Traditional Name: (11E,14E)-20-(o-tolylsulfinyl)eicosa-11,14-dienoic acid tert-butyl ester Formula: C31H50O3S MolecularWeight: 502.7919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)CCCCCC=CCC=CCCCCCCCCCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C31H50O3S/c1-28-24-21-22-25-29(28)35(33)27-23-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-26-30(32)34-31(2,3)4/h5,7,11,13,21-22,24-25H,6,8-10,12,14-20,23,26-27H2,1-4H3/b7-5+,13-11+