3-(dimethylamino)-3-[(E)-isocyanatodiazenyl]cyclohexa-1,4-diene-1-sulfonic acid

Systemtic Name: 3-(dimethylamino)-3-[(E)-isocyanatodiazenyl]cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: 3-(dimethylamino)-3-[(E)-isocyanatoazo]cyclohexa-1,4-diene-1-sulfonic acid CAS Name: 3-(dimethylamino)-3-[(E)-isocyanatoazo]-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: 3-(dimethylamino)-3-[(E)-isocyanatodiazenyl]cyclohexa-1,4-diene-1-sulfonic acid Traditional Name: 3-(dimethylamino)-3-[(E)-isocyanatoazo]cyclohexa-1,4-diene-1-sulfonic acid Formula: C9H12N4O4S MolecularWeight: 272.28098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(C=CCC(=C1)S(=O)(=O)O)N=NN=C=O

Isomeric SMILES

CN(C)C1(C=CCC(=C1)S(=O)(=O)O)/N=N/N=C=O

InChI

InChI=1S/C9H12N4O4S/c1-13(2)9(11-12-10-7-14)5-3-4-8(6-9)18(15,16)17/h3,5-6H,4H2,1-2H3,(H,15,16,17)/b12-11+