sodium 5-(prop-2-enoylamino)heptadecane-1-sulfonate

Systemtic Name: sodium 5-(prop-2-enoylamino)heptadecane-1-sulfonate Openeye Name: sodium 5-(prop-2-enoylamino)heptadecane-1-sulfonate CAS Name: sodium 5-(1-oxoprop-2-enylamino)-1-heptadecanesulfonate IUPAC Name: sodium 5-(prop-2-enoylamino)heptadecane-1-sulfonate Traditional Name: sodium 5-acrylamidoheptadecane-1-sulfonate Formula: C20H38NNaO4S MolecularWeight: 411.57479

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCS(=O)(=O)[O-])NC(=O)C=C.[Na+]

Isomeric SMILES

CCCCCCCCCCCCC(CCCCS(=O)(=O)[O-])NC(=O)C=C.[Na+]

InChI

InChI=1S/C20H39NO4S.Na/c1-3-5-6-7-8-9-10-11-12-13-16-19(21-20(22)4-2)17-14-15-18-26(23,24)25;/h4,19H,2-3,5-18H2,1H3,(H,21,22)(H,23,24,25);/q;+1/p-1