sodium 1-[[(E)-octadec-9-enoyl]amino]propane-2-sulfonic acid

Systemtic Name: sodium 1-[[(E)-octadec-9-enoyl]amino]propane-2-sulfonic acid Openeye Name: sodium 1-[[(E)-octadec-9-enoyl]amino]propane-2-sulfonic acid CAS Name: sodium 1-[[(E)-1-oxooctadec-9-enyl]amino]-2-propanesulfonic acid IUPAC Name: sodium 1-[[(E)-octadec-9-enoyl]amino]propane-2-sulfonic acid Traditional Name: sodium 1-[[(E)-octadec-9-enoyl]amino]propane-2-sulfonic acid Formula: C21H41NNaO4S+ MolecularWeight: 426.60931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCC(C)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCC(C)S(=O)(=O)O.[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)22-19-20(2)27(24,25)26;/h10-11,20H,3-9,12-19H2,1-2H3,(H,22,23)(H,24,25,26);/q;+1/b11-10+;