sodium [3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl sulfate

Systemtic Name: sodium [3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl sulfate Openeye Name: sodium [3-(octylamino)-3-oxo-prop-1-enyl]sulfanyl sulfate CAS Name: sodium [[3-(octylamino)-3-oxoprop-1-enyl]thio] sulfate IUPAC Name: sodium [3-(octylamino)-3-oxoprop-1-enyl]sulfanyl sulfate Traditional Name: sodium [[3-keto-3-(octylamino)prop-1-enyl]thio] sulfate Formula: C11H20NNaO5S2 MolecularWeight: 333.39997

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCNC(=O)C=CSOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H21NO5S2.Na/c1-2-3-4-5-6-7-9-12-11(13)8-10-18-17-19(14,15)16;/h8,10H,2-7,9H2,1H3,(H,12,13)(H,14,15,16);/q;+1/p-1