sodium 3-[[(Z)-octadec-9-enoyl]amino]propane-1-sulfonate

Systemtic Name: sodium 3-[[(Z)-octadec-9-enoyl]amino]propane-1-sulfonate Openeye Name: sodium 3-[[(Z)-octadec-9-enoyl]amino]propane-1-sulfonate CAS Name: sodium 3-[[(Z)-1-oxooctadec-9-enyl]amino]-1-propanesulfonate IUPAC Name: sodium 3-[[(Z)-octadec-9-enoyl]amino]propane-1-sulfonate Traditional Name: sodium 3-[[(Z)-octadec-9-enoyl]amino]propane-1-sulfonate Formula: C21H40NNaO4S MolecularWeight: 425.60137

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H41NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)22-19-17-20-27(24,25)26;/h9-10H,2-8,11-20H2,1H3,(H,22,23)(H,24,25,26);/q;+1/p-1/b10-9-;