icosan-2-yl benzenesulfonate

Systemtic Name: icosan-2-yl benzenesulfonate Openeye Name: 1-methylnonadecyl benzenesulfonate CAS Name: benzenesulfonic acid eicosan-2-yl ester IUPAC Name: icosan-2-yl benzenesulfonate Traditional Name: benzenesulfonic acid 1-methylnonadecyl ester Formula: C26H46O3S MolecularWeight: 438.70664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H46O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(2)29-30(27,28)26-23-20-18-21-24-26/h18,20-21,23-25H,3-17,19,22H2,1-2H3