[4,4-diethoxy-2-[(2-methylphenyl)sulfonyloxymethyl]butyl] octadecanoate

Systemtic Name: [4,4-diethoxy-2-[(2-methylphenyl)sulfonyloxymethyl]butyl] octadecanoate Openeye Name: [4,4-diethoxy-2-(o-tolylsulfonyloxymethyl)butyl] octadecanoate CAS Name: octadecanoic acid [4,4-diethoxy-2-[(2-methylphenyl)sulfonyloxymethyl]butyl] ester IUPAC Name: [4,4-diethoxy-2-[(2-methylphenyl)sulfonyloxymethyl]butyl] octadecanoate Traditional Name: stearic acid [4,4-diethoxy-2-(o-tolylsulfonyloxymethyl)butyl] ester Formula: C34H60O7S MolecularWeight: 612.901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CC(OCC)OCC)COS(=O)(=O)C1=CC=CC=C1C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CC(OCC)OCC)COS(=O)(=O)C1=CC=CC=C1C

InChI

InChI=1S/C34H60O7S/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33(35)40-28-31(27-34(38-6-2)39-7-3)29-41-42(36,37)32-25-23-22-24-30(32)4/h22-25,31,34H,5-21,26-29H2,1-4H3