sodium (E)-1-azanyl-4-oxidanylidene-henicos-12-ene-2-sulfonate

Systemtic Name: sodium (E)-1-azanyl-4-oxidanylidene-henicos-12-ene-2-sulfonate Openeye Name: sodium (E)-1-amino-4-oxo-henicos-12-ene-2-sulfonate CAS Name: sodium (E)-1-amino-4-oxo-12-heneicosene-2-sulfonate IUPAC Name: sodium (E)-1-amino-4-oxohenicos-12-ene-2-sulfonate Traditional Name: sodium (E)-1-amino-4-keto-heneicos-12-ene-2-sulfonate Formula: C21H40NNaO4S MolecularWeight: 425.60137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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