[(7S,8S)-2-methyl-7-(4-methylphenyl)sulfonyloxy-octadecan-8-yl] ethanoate

Systemtic Name: [(7S,8S)-2-methyl-7-(4-methylphenyl)sulfonyloxy-octadecan-8-yl] ethanoate Openeye Name: [(1S)-1-[(1S)-6-methyl-1-(p-tolylsulfonyloxy)heptyl]undecyl] acetate CAS Name: acetic acid [(7S,8S)-2-methyl-7-(4-methylphenyl)sulfonyloxyoctadecan-8-yl] ester IUPAC Name: [(7S,8S)-2-methyl-7-(4-methylphenyl)sulfonyloxyoctadecan-8-yl] acetate Traditional Name: acetic acid [(1S)-1-[(1S)-6-methyl-1-tosyloxy-heptyl]undecyl] ester Formula: C28H48O5S MolecularWeight: 496.74272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(CCCCC(C)C)OS(=O)(=O)C1=CC=C(C=C1)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCC[C@@H]([C@H](CCCCC(C)C)OS(=O)(=O)C1=CC=C(C=C1)C)OC(=O)C

InChI

InChI=1S/C28H48O5S/c1-6-7-8-9-10-11-12-13-17-27(32-25(5)29)28(18-15-14-16-23(2)3)33-34(30,31)26-21-19-24(4)20-22-26/h19-23,27-28H,6-18H2,1-5H3/t27-,28-/m0/s1