disodium 7-[(4-nitrophenyl)carbonylamino]naphthalene-1,3-disulfonate

Systemtic Name: disodium 7-[(4-nitrophenyl)carbonylamino]naphthalene-1,3-disulfonate Openeye Name: disodium 7-[(4-nitrobenzoyl)amino]naphthalene-1,3-disulfonate CAS Name: disodium 7-[[(4-nitrophenyl)-oxomethyl]amino]naphthalene-1,3-disulfonate IUPAC Name: disodium 7-[(4-nitrobenzoyl)amino]naphthalene-1,3-disulfonate Traditional Name: disodium 7-[(4-nitrobenzoyl)amino]naphthalene-1,3-disulfonate Formula: C17H10N2Na2O9S2 MolecularWeight: 496.37884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H12N2O9S2.2Na/c20-17(10-2-5-13(6-3-10)19(21)22)18-12-4-1-11-7-14(29(23,24)25)9-16(15(11)8-12)30(26,27)28;;/h1-9H,(H,18,20)(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2