[(E)-[2-(hydroxymethyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate

Systemtic Name: [(E)-[2-(hydroxymethyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate Openeye Name: [(E)-[2-(hydroxymethyl)-4-oxo-cyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate CAS Name: methanesulfonic acid [(E)-[2-(hydroxymethyl)-4-oxo-1-cyclohexa-2,5-dienylidene]amino] ester IUPAC Name: [(E)-[2-(hydroxymethyl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate Traditional Name: methanesulfonic acid [(E)-(4-keto-2-methylol-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C8H9NO5S MolecularWeight: 231.22576

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)ON=C1C=CC(=O)C=C1CO

Isomeric SMILES

CS(=O)(=O)O/N=C/1\C=CC(=O)C=C1CO

InChI

InChI=1S/C8H9NO5S/c1-15(12,13)14-9-8-3-2-7(11)4-6(8)5-10/h2-4,10H,5H2,1H3/b9-8+