hexadecyl phenyl sulfate

Systemtic Name: hexadecyl phenyl sulfate Openeye Name: hexadecyl phenyl sulfate CAS Name: sulfuric acid hexadecyl phenyl ester IUPAC Name: hexadecyl phenyl sulfate Traditional Name: sulfuric acid cetyl phenyl ester Formula: C22H38O4S MolecularWeight: 398.59972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOS(=O)(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCOS(=O)(=O)OC1=CC=CC=C1

InChI

InChI=1S/C22H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25-27(23,24)26-22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3