benzene-1,4-diamine; methyl hydrogen sulfate

Systemtic Name: benzene-1,4-diamine; methyl hydrogen sulfate Openeye Name: benzene-1,4-diamine; methyl hydrogen sulfate CAS Name: benzene-1,4-diamine; sulfuric acid methyl ester IUPAC Name: benzene-1,4-diamine; methyl hydrogen sulfate Traditional Name: p-phenylenediamine; sulfuric acid methyl ester Formula: C7H12N2O4S MolecularWeight: 220.24618

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)O.C1=CC(=CC=C1N)N

Isomeric SMILES

COS(=O)(=O)O.C1=CC(=CC=C1N)N

InChI

InChI=1S/C6H8N2.CH4O4S/c7-5-1-2-6(8)4-3-5;1-5-6(2,3)4/h1-4H,7-8H2;1H3,(H,2,3,4)