hydrogen sulfate; 5-methoxy-4-methyl-2-[[4-nitro-2-(phenylsulfonyl)phenyl]diazenyl]benzenediazonium

Systemtic Name: hydrogen sulfate; 5-methoxy-4-methyl-2-[[4-nitro-2-(phenylsulfonyl)phenyl]diazenyl]benzenediazonium Openeye Name: 2-[2-(benzenesulfonyl)-4-nitro-phenyl]azo-5-methoxy-4-methyl-benzenediazonium; hydrogen sulfate CAS Name: 2-[2-(benzenesulfonyl)-4-nitrophenyl]azo-5-methoxy-4-methylbenzenediazonium; hydrogen sulfate IUPAC Name: 2-[[2-(benzenesulfonyl)-4-nitrophenyl]diazenyl]-5-methoxy-4-methylbenzenediazonium; hydrogen sulfate Traditional Name: 2-(2-besyl-4-nitro-phenyl)azo-5-methoxy-4-methyl-benzenediazonium bisulfate Formula: C20H17N5O9S2 MolecularWeight: 535.50708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)[N+]#N)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3.OS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1OC)[N+]#N)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3.OS(=O)(=O)[O-]

InChI

InChI=1S/C20H16N5O5S.H2O4S/c1-13-10-18(17(22-21)12-19(13)30-2)24-23-16-9-8-14(25(26)27)11-20(16)31(28,29)15-6-4-3-5-7-15;1-5(2,3)4/h3-12H,1-2H3;(H2,1,2,3,4)/q+1;/p-1