(4-octadecoxy-3-oxidanyl-butyl) 4-methylbenzenesulfonate

Systemtic Name: (4-octadecoxy-3-oxidanyl-butyl) 4-methylbenzenesulfonate Openeye Name: (3-hydroxy-4-octadecoxy-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-hydroxy-4-octadecoxybutyl) ester IUPAC Name: (3-hydroxy-4-octadecoxybutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-4-stearyloxy-butyl) ester Formula: C29H52O5S MolecularWeight: 512.78518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCOS(=O)(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CCOS(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C29H52O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-33-26-28(30)23-25-34-35(31,32)29-21-19-27(2)20-22-29/h19-22,28,30H,3-18,23-26H2,1-2H3