sodium [[2-methoxy-4-[(4-nitrophenyl)diazenyl]phenyl]amino]methanesulfonate

Systemtic Name: sodium [[2-methoxy-4-[(4-nitrophenyl)diazenyl]phenyl]amino]methanesulfonate Openeye Name: sodium [2-methoxy-4-(4-nitrophenyl)azo-anilino]methanesulfonate CAS Name: sodium [2-methoxy-4-(4-nitrophenyl)azoanilino]methanesulfonate IUPAC Name: sodium [2-methoxy-4-[(4-nitrophenyl)diazenyl]anilino]methanesulfonate Traditional Name: sodium [2-methoxy-4-(4-nitrophenyl)azo-anilino]methanesulfonate Formula: C14H13N4NaO6S MolecularWeight: 388.33099

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])NCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])NCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H14N4O6S.Na/c1-24-14-8-11(4-7-13(14)15-9-25(21,22)23)17-16-10-2-5-12(6-3-10)18(19)20;/h2-8,15H,9H2,1H3,(H,21,22,23);/q;+1/p-1