(2-methoxy-3-octadecoxy-propyl) benzenesulfonate

Systemtic Name: (2-methoxy-3-octadecoxy-propyl) benzenesulfonate Openeye Name: (2-methoxy-3-octadecoxy-propyl) benzenesulfonate CAS Name: benzenesulfonic acid (2-methoxy-3-octadecoxypropyl) ester IUPAC Name: (2-methoxy-3-octadecoxypropyl) benzenesulfonate Traditional Name: benzenesulfonic acid (2-methoxy-3-stearyloxy-propyl) ester Formula: C28H50O5S MolecularWeight: 498.7586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COS(=O)(=O)C1=CC=CC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COS(=O)(=O)C1=CC=CC=C1)OC

InChI

InChI=1S/C28H50O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-32-25-27(31-2)26-33-34(29,30)28-22-19-18-20-23-28/h18-20,22-23,27H,3-17,21,24-26H2,1-2H3