(3E)-2-(1-ethyl-1H-pyridin-1-ium-4-ylidene)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)propane-1-sulfonate

Systemtic Name: (3E)-2-(1-ethyl-1H-pyridin-1-ium-4-ylidene)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)propane-1-sulfonate Openeye Name: (3E)-2-(1-ethyl-1H-pyridin-1-ium-4-ylidene)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)propane-1-sulfonate CAS Name: (3E)-2-(1-ethyl-1H-pyridin-1-ium-4-ylidene)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-1-propanesulfonate IUPAC Name: (3E)-2-(1-ethyl-1H-pyridin-1-ium-4-ylidene)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)propane-1-sulfonate Traditional Name: (3E)-2-(1-ethyl-1H-pyridin-1-ium-4-ylidene)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)propane-1-sulfonate Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C=CC(=C(CS(=O)(=O)[O-])C=C2C=CC=CC2=O)C=C1

Isomeric SMILES

CC[NH+]1C=CC(=C(CS(=O)(=O)[O-])/C=C/2\C=CC=CC2=O)C=C1

InChI

InChI=1S/C16H17NO4S/c1-2-17-9-7-13(8-10-17)15(12-22(19,20)21)11-14-5-3-4-6-16(14)18/h3-11H,2,12H2,1H3,(H,19,20,21)/b14-11+