(2-methoxy-4-nitro-phenyl)iminoazanium; 5-sulfonaphthalene-1-sulfonate

Systemtic Name: (2-methoxy-4-nitro-phenyl)iminoazanium; 5-sulfonaphthalene-1-sulfonate Openeye Name: (2-methoxy-4-nitro-phenyl)iminoammonium; 5-sulfonaphthalene-1-sulfonate CAS Name: (2-methoxy-4-nitrophenyl)iminoammonium; 5-sulfo-1-naphthalenesulfonate IUPAC Name: (2-methoxy-4-nitrophenyl)iminoazanium; 5-sulfonaphthalene-1-sulfonate Traditional Name: (2-methoxy-4-nitro-phenyl)iminoammonium; 5-sulfonaphthalene-1-sulfonate Formula: C17H15N3O9S2 MolecularWeight: 469.4457

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])N=[NH2+].C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])N=[NH2+].C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O

InChI

InChI=1S/C10H8O6S2.C7H7N3O3/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;1-13-7-4-5(10(11)12)2-3-6(7)9-8/h1-6H,(H,11,12,13)(H,14,15,16);2-4,8H,1H3