5-methoxy-4-methyl-2-[(2-methylsulfonyl-4-nitro-phenyl)diazenyl]benzenediazonium sulfate

Systemtic Name: 5-methoxy-4-methyl-2-[(2-methylsulfonyl-4-nitro-phenyl)diazenyl]benzenediazonium sulfate Openeye Name: 5-methoxy-4-methyl-2-(2-methylsulfonyl-4-nitro-phenyl)azo-benzenediazonium sulfate CAS Name: 5-methoxy-4-methyl-2-(2-methylsulfonyl-4-nitrophenyl)azobenzenediazonium sulfate IUPAC Name: 5-methoxy-4-methyl-2-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]benzenediazonium sulfate Traditional Name: 2-(2-mesyl-4-nitro-phenyl)azo-5-methoxy-4-methyl-benzenediazonium sulfate Formula: C30H28N10O14S3 MolecularWeight: 848.79692

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

InChI

InChI=1S/2C15H14N5O5S.H2O4S/c2*1-9-6-13(12(17-16)8-14(9)25-2)19-18-11-5-4-10(20(21)22)7-15(11)26(3,23)24;1-5(2,3)4/h2*4-8H,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2