2,5-diethoxy-4-(4-methylphenyl)sulfanyl-benzenediazonium; hydrogen sulfate; methanal

Systemtic Name: 2,5-diethoxy-4-(4-methylphenyl)sulfanyl-benzenediazonium; hydrogen sulfate; methanal Openeye Name: 2,5-diethoxy-4-(p-tolylsulfanyl)benzenediazonium; formaldehyde; hydrogen sulfate CAS Name: 2,5-diethoxy-4-[(4-methylphenyl)thio]benzenediazonium; formaldehyde; hydrogen sulfate IUPAC Name: 2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium; formaldehyde; hydrogen sulfate Traditional Name: 2,5-diethoxy-4-(p-tolylthio)benzenediazonium; formaldehyde; bisulfate Formula: C18H22N2O7S2 MolecularWeight: 442.50648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1[N+]#N)OCC)SC2=CC=C(C=C2)C.C=O.OS(=O)(=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1[N+]#N)OCC)SC2=CC=C(C=C2)C.C=O.OS(=O)(=O)[O-]

InChI

InChI=1S/C17H19N2O2S.CH2O.H2O4S/c1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13;1-2;1-5(2,3)4/h6-11H,4-5H2,1-3H3;1H2;(H2,1,2,3,4)/q+1;;/p-1