sodium 2-[[(Z)-(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[[(Z)-(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate Openeye Name: sodium 2-[[(Z)-(3-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate CAS Name: sodium 2-[[(Z)-(3-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[(Z)-(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate Traditional Name: sodium 2-[[(Z)-(6-keto-3-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate Formula: C10H12NNaO5S MolecularWeight: 281.26075

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCCS(=O)(=O)[O-])C(=O)C=C1.[Na+]

Isomeric SMILES

COC1=C/C(=C/NCCS(=O)(=O)[O-])/C(=O)C=C1.[Na+]

InChI

InChI=1S/C10H13NO5S.Na/c1-16-9-2-3-10(12)8(6-9)7-11-4-5-17(13,14)15;/h2-3,6-7,11H,4-5H2,1H3,(H,13,14,15);/q;+1/p-1/b8-7-;