5-methoxy-2-nitro-benzenesulfonic acid; 2-methylbenzene-1,4-diamine

Systemtic Name: 5-methoxy-2-nitro-benzenesulfonic acid; 2-methylbenzene-1,4-diamine Openeye Name: 5-methoxy-2-nitro-benzenesulfonic acid; 2-methylbenzene-1,4-diamine CAS Name: 5-methoxy-2-nitrobenzenesulfonic acid; 2-methylbenzene-1,4-diamine IUPAC Name: 5-methoxy-2-nitrobenzenesulfonic acid; 2-methylbenzene-1,4-diamine Traditional Name: (4-amino-2-methyl-phenyl)amine; 5-methoxy-2-nitro-besylic acid Formula: C14H17N3O6S MolecularWeight: 355.36628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)N.COC1=CC(=C(C=C1)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N)N.COC1=CC(=C(C=C1)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C7H10N2.C7H7NO6S/c1-5-4-6(8)2-3-7(5)9;1-14-5-2-3-6(8(9)10)7(4-5)15(11,12)13/h2-4H,8-9H2,1H3;2-4H,1H3,(H,11,12,13)