2-(prop-2-enoylamino)octadecane-1-sulfonic acid

Systemtic Name: 2-(prop-2-enoylamino)octadecane-1-sulfonic acid Openeye Name: 2-(prop-2-enoylamino)octadecane-1-sulfonic acid CAS Name: 2-(1-oxoprop-2-enylamino)-1-octadecanesulfonic acid IUPAC Name: 2-(prop-2-enoylamino)octadecane-1-sulfonic acid Traditional Name: 2-acrylamidooctadecane-1-sulfonic acid Formula: C21H41NO4S MolecularWeight: 403.61954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CS(=O)(=O)O)NC(=O)C=C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CS(=O)(=O)O)NC(=O)C=C

InChI

InChI=1S/C21H41NO4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(19-27(24,25)26)22-21(23)4-2/h4,20H,2-3,5-19H2,1H3,(H,22,23)(H,24,25,26)