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

Systemtic Name: [3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl hydrogen sulfate Openeye Name: [3-(octylamino)-3-oxo-prop-1-enyl]sulfanyl hydrogen sulfate CAS Name: 3-(octylamino)-3-oxo-1-propene-1-sulfenic acid sulfo ester IUPAC Name: [3-(octylamino)-3-oxoprop-1-enyl]sulfanyl hydrogen sulfate Traditional Name: sulfuric acid [[3-keto-3-(octylamino)prop-1-enyl]thio] ester Formula: C11H21NO5S2 MolecularWeight: 311.41814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)C=CSOS(=O)(=O)O

InChI

InChI=1S/C11H21NO5S2/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)