sodium 2-(methylamino)ethylsulfonyl (E)-octadec-9-enoate

Systemtic Name: sodium 2-(methylamino)ethylsulfonyl (E)-octadec-9-enoate Openeye Name: sodium 2-(methylamino)ethylsulfonyl (E)-octadec-9-enoate CAS Name: sodium (E)-9-octadecenoic acid 2-(methylamino)ethylsulfonyl ester IUPAC Name: sodium 2-(methylamino)ethylsulfonyl (E)-octadec-9-enoate Traditional Name: sodium (E)-octadec-9-enoic acid 2-(methylamino)ethylsulfonyl ester Formula: C21H41NNaO4S+ MolecularWeight: 426.60931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OS(=O)(=O)CCNC.[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OS(=O)(=O)CCNC.[Na+]

InChI

InChI=1S/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)26-27(24,25)20-19-22-2;/h10-11,22H,3-9,12-20H2,1-2H3;/q;+1/b11-10+;