phenyl 4-[(6-azanyl-1,2-dimethyl-indazol-2-ium-7-yl)diazenyl]benzenesulfonate ethanoate

Systemtic Name: phenyl 4-[(6-azanyl-1,2-dimethyl-indazol-2-ium-7-yl)diazenyl]benzenesulfonate ethanoate Openeye Name: phenyl 4-(6-amino-1,2-dimethyl-indazol-2-ium-7-yl)azobenzenesulfonate acetate CAS Name: 4-[(6-amino-1,2-dimethyl-7-indazol-2-iumyl)azo]benzenesulfonic acid phenyl ester acetate IUPAC Name: phenyl 4-[(6-amino-1,2-dimethylindazol-2-ium-7-yl)diazenyl]benzenesulfonate acetate Traditional Name: 4-(6-amino-1,2-dimethyl-indazol-2-ium-7-yl)azobenzenesulfonic acid phenyl ester acetate Formula: C23H23N5O5S MolecularWeight: 481.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C2=C(C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)N)C=[N+]1C

Isomeric SMILES

CC(=O)[O-].CN1C2=C(C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)N)C=[N+]1C

InChI

InChI=1S/C21H19N5O3S.C2H4O2/c1-25-14-15-8-13-19(22)20(21(15)26(25)2)24-23-16-9-11-18(12-10-16)30(27,28)29-17-6-4-3-5-7-17;1-2(3)4/h3-14,22H,1-2H3;1H3,(H,3,4)