4-[2-[(E)-4-ethoxy-3-nitroso-4-oxidanylidene-but-2-en-2-yl]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[2-[(E)-4-ethoxy-3-nitroso-4-oxidanylidene-but-2-en-2-yl]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[2-[(E)-3-ethoxy-1-methyl-2-nitroso-3-oxo-prop-1-enyl]hydrazino]benzenesulfonic acid CAS Name: 4-[[(E)-4-ethoxy-3-nitroso-4-oxobut-2-en-2-yl]hydrazo]benzenesulfonic acid IUPAC Name: 4-[2-[(E)-4-ethoxy-3-nitroso-4-oxobut-2-en-2-yl]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[N'-[(E)-3-ethoxy-3-keto-1-methyl-2-nitroso-prop-1-enyl]hydrazino]besylic acid Formula: C12H15N3O6S MolecularWeight: 329.329

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)NNC1=CC=C(C=C1)S(=O)(=O)O)N=O

Isomeric SMILES

CCOC(=O)/C(=C(/C)\NNC1=CC=C(C=C1)S(=O)(=O)O)/N=O

InChI

InChI=1S/C12H15N3O6S/c1-3-21-12(16)11(15-17)8(2)13-14-9-4-6-10(7-5-9)22(18,19)20/h4-7,13-14H,3H2,1-2H3,(H,18,19,20)/b11-8+