1-oxidanylhexacosan-4-yl 4-methylbenzenesulfonate

Systemtic Name: 1-oxidanylhexacosan-4-yl 4-methylbenzenesulfonate Openeye Name: 1-(3-hydroxypropyl)tricosyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-hydroxyhexacosan-4-yl ester IUPAC Name: 1-hydroxyhexacosan-4-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(3-hydroxypropyl)tricosyl ester Formula: C33H60O4S MolecularWeight: 552.8921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(CCCO)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(CCCO)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C33H60O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-32(25-23-30-34)37-38(35,36)33-28-26-31(2)27-29-33/h26-29,32,34H,3-25,30H2,1-2H3