sodium 2-[3-decoxypropyl-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[3-decoxypropyl-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]ethanesulfonate Openeye Name: sodium 2-[3-decoxypropyl-[(E)-4-hydroxy-4-oxo-but-2-enoyl]amino]ethanesulfonate CAS Name: sodium 2-[3-decoxypropyl-[(E)-4-hydroxy-1,4-dioxobut-2-enyl]amino]ethanesulfonate IUPAC Name: sodium 2-[3-decoxypropyl-[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]ethanesulfonate Traditional Name: sodium 2-[3-decoxypropyl-[(E)-4-hydroxy-4-keto-but-2-enoyl]amino]ethanesulfonate Formula: C19H34NNaO7S MolecularWeight: 443.53053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCCCN(CCS(=O)(=O)[O-])C(=O)C=CC(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCOCCCN(CCS(=O)(=O)[O-])C(=O)/C=C/C(=O)O.[Na+]

InChI

InChI=1S/C19H35NO7S.Na/c1-2-3-4-5-6-7-8-9-15-27-16-10-13-20(14-17-28(24,25)26)18(21)11-12-19(22)23;/h11-12H,2-10,13-17H2,1H3,(H,22,23)(H,24,25,26);/q;+1/p-1/b12-11+;