4-octadecylsulfanylpentan-2-yl benzenesulfonate

Systemtic Name: 4-octadecylsulfanylpentan-2-yl benzenesulfonate Openeye Name: (1-methyl-3-octadecylsulfanyl-butyl) benzenesulfonate CAS Name: benzenesulfonic acid 4-(octadecylthio)pentan-2-yl ester IUPAC Name: 4-octadecylsulfanylpentan-2-yl benzenesulfonate Traditional Name: benzenesulfonic acid [1-methyl-3-(stearylthio)butyl] ester Formula: C29H52O3S2 MolecularWeight: 512.85138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(C)CC(C)OS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(C)CC(C)OS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C29H52O3S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-33-28(3)26-27(2)32-34(30,31)29-23-20-19-21-24-29/h19-21,23-24,27-28H,4-18,22,25-26H2,1-3H3