sodium (E)-1-azanylhenicos-12-ene-2-sulfonate

Systemtic Name: sodium (E)-1-azanylhenicos-12-ene-2-sulfonate Openeye Name: sodium (E)-1-aminohenicos-12-ene-2-sulfonate CAS Name: sodium (E)-1-amino-12-heneicosene-2-sulfonate IUPAC Name: sodium (E)-1-aminohenicos-12-ene-2-sulfonate Traditional Name: sodium (E)-1-aminoheneicos-12-ene-2-sulfonate Formula: C21H42NNaO3S MolecularWeight: 411.61785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCC(CN)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCC(CN)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H43NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20-22)26(23,24)25;/h9-10,21H,2-8,11-20,22H2,1H3,(H,23,24,25);/q;+1/p-1/b10-9+;