[2-methyl-4-(4-methylphenyl)sulfonyloxy-4-oxidanylidene-butyl] octadecanoate

Systemtic Name: [2-methyl-4-(4-methylphenyl)sulfonyloxy-4-oxidanylidene-butyl] octadecanoate Openeye Name: [2-methyl-4-oxo-4-(p-tolylsulfonyloxy)butyl] octadecanoate CAS Name: octadecanoic acid [2-methyl-4-(4-methylphenyl)sulfonyloxy-4-oxobutyl] ester IUPAC Name: [2-methyl-4-(4-methylphenyl)sulfonyloxy-4-oxobutyl] octadecanoate Traditional Name: stearic acid (4-keto-2-methyl-4-tosyloxy-butyl) ester Formula: C30H50O6S MolecularWeight: 538.7794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C)CC(=O)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C)CC(=O)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C30H50O6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(31)35-25-27(3)24-30(32)36-37(33,34)28-22-20-26(2)21-23-28/h20-23,27H,4-19,24-25H2,1-3H3