tert-butyl (E)-22-(4-methylphenyl)sulfinyldocos-13-enoate

Systemtic Name: tert-butyl (E)-22-(4-methylphenyl)sulfinyldocos-13-enoate Openeye Name: tert-butyl (E)-22-(p-tolylsulfinyl)docos-13-enoate CAS Name: (E)-22-(4-methylphenyl)sulfinyl-13-docosenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-22-(4-methylphenyl)sulfinyldocos-13-enoate Traditional Name: (E)-22-(p-tolylsulfinyl)docos-13-enoic acid tert-butyl ester Formula: C33H56O3S MolecularWeight: 532.86094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C33H56O3S/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/h7,9,25-28H,5-6,8,10-24,29H2,1-4H3/b9-7+