trisodium 8-[(3,5-dinitrophenyl)carbonylamino]naphthalene-1,3,5-trisulfonate

Systemtic Name: trisodium 8-[(3,5-dinitrophenyl)carbonylamino]naphthalene-1,3,5-trisulfonate Openeye Name: trisodium 8-[(3,5-dinitrobenzoyl)amino]naphthalene-1,3,5-trisulfonate CAS Name: trisodium 8-[[(3,5-dinitrophenyl)-oxomethyl]amino]naphthalene-1,3,5-trisulfonate IUPAC Name: trisodium 8-[(3,5-dinitrobenzoyl)amino]naphthalene-1,3,5-trisulfonate Traditional Name: trisodium 8-[(3,5-dinitrobenzoyl)amino]naphthalene-1,3,5-trisulfonate Formula: C17H8N3Na3O14S3 MolecularWeight: 643.42143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C=C(C2=C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C2C=C(C=C(C2=C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H11N3O14S3.3Na/c21-17(8-3-9(19(22)23)5-10(4-8)20(24)25)18-13-1-2-14(36(29,30)31)12-6-11(35(26,27)28)7-15(16(12)13)37(32,33)34;;;/h1-7H,(H,18,21)(H,26,27,28)(H,29,30,31)(H,32,33,34);;;/q;3*+1/p-3