sodium hexadecoxysulfonyl (E)-octadec-9-enoate

Systemtic Name: sodium hexadecoxysulfonyl (E)-octadec-9-enoate Openeye Name: sodium hexadecoxysulfonyl (E)-octadec-9-enoate CAS Name: sodium (E)-9-octadecenoic acid hexadecoxysulfonyl ester IUPAC Name: sodium hexadecoxysulfonyl (E)-octadec-9-enoate Traditional Name: sodium (E)-octadec-9-enoic acid cetyloxysulfonyl ester Formula: C34H66NaO5S+ MolecularWeight: 609.93961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOS(=O)(=O)OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOS(=O)(=O)OC(=O)CCCCCCC/C=C/CCCCCCCC.[Na+]

InChI

InChI=1S/C34H66O5S.Na/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)39-40(36,37)38-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2;/h17,19H,3-16,18,20-33H2,1-2H3;/q;+1/b19-17+;