5-(dimethylamino)-5-[(E)-isothiocyanatodiazenyl]cyclohexa-3,6-diene-1,3-disulfonic acid

Systemtic Name: 5-(dimethylamino)-5-[(E)-isothiocyanatodiazenyl]cyclohexa-3,6-diene-1,3-disulfonic acid Openeye Name: 5-(dimethylamino)-5-[(E)-isothiocyanatoazo]cyclohexa-3,6-diene-1,3-disulfonic acid CAS Name: 5-(dimethylamino)-5-[(E)-isothiocyanatoazo]cyclohexa-3,6-diene-1,3-disulfonic acid IUPAC Name: 5-(dimethylamino)-5-[(E)-isothiocyanatodiazenyl]cyclohexa-3,6-diene-1,3-disulfonic acid Traditional Name: 5-(dimethylamino)-5-[(E)-isothiocyanatoazo]cyclohexa-3,6-diene-1,3-disulfonic acid Formula: C9H12N4O6S3 MolecularWeight: 368.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N4O6S3/c1-13(2)9(11-12-10-6-20)4-7(21(14,15)16)3-8(5-9)22(17,18)19/h4-5H,3H2,1-2H3,(H,14,15,16)(H,17,18,19)/b12-11+