sodium 2-[[(Z)-(5-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[[(Z)-(5-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate Openeye Name: sodium 2-[[(Z)-(5-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate CAS Name: sodium 2-[[(Z)-(5-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[(Z)-(5-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate Traditional Name: sodium 2-[[(Z)-(5-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate Formula: C9H9BrNNaO4S MolecularWeight: 330.13083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNCCS(=O)(=O)[O-])C(=O)C(=C1)Br.[Na+]

Isomeric SMILES

C1=C/C(=C/NCCS(=O)(=O)[O-])/C(=O)C(=C1)Br.[Na+]

InChI

InChI=1S/C9H10BrNO4S.Na/c10-8-3-1-2-7(9(8)12)6-11-4-5-16(13,14)15;/h1-3,6,11H,4-5H2,(H,13,14,15);/q;+1/p-1/b7-6-;