4-[(3,5-dinitrophenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[(3,5-dinitrophenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[(3,5-dinitrobenzoyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[(3,5-dinitrophenyl)-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(3,5-dinitrobenzoyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[(3,5-dinitrobenzoyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C17H11N3O12S2 MolecularWeight: 513.41214

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)S(=O)(=O)O

InChI

InChI=1S/C17H11N3O12S2/c21-15-7-13(34(30,31)32)4-8-3-12(33(27,28)29)6-14(16(8)15)18-17(22)9-1-10(19(23)24)5-11(2-9)20(25)26/h1-7,21H,(H,18,22)(H,27,28,29)(H,30,31,32)