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

Systemtic Name: trisodium 8-[(3-nitrophenyl)carbonylamino]naphthalene-1,3,5-trisulfonate Openeye Name: trisodium 8-[(3-nitrobenzoyl)amino]naphthalene-1,3,5-trisulfonate CAS Name: trisodium 8-[[(3-nitrophenyl)-oxomethyl]amino]naphthalene-1,3,5-trisulfonate IUPAC Name: trisodium 8-[(3-nitrobenzoyl)amino]naphthalene-1,3,5-trisulfonate Traditional Name: trisodium 8-[(3-nitrobenzoyl)amino]naphthalene-1,3,5-trisulfonate Formula: C17H9N2Na3O12S3 MolecularWeight: 598.42387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O12S3.3Na/c20-17(9-2-1-3-10(6-9)19(21)22)18-13-4-5-14(33(26,27)28)12-7-11(32(23,24)25)8-15(16(12)13)34(29,30)31;;;/h1-8H,(H,18,20)(H,23,24,25)(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3