trisodium 8-[(4-chloranyl-3-nitro-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonate

Systemtic Name: trisodium 8-[(4-chloranyl-3-nitro-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonate Openeye Name: trisodium 8-[(4-chloro-3-nitro-benzoyl)amino]naphthalene-1,3,5-trisulfonate CAS Name: trisodium 8-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]naphthalene-1,3,5-trisulfonate IUPAC Name: trisodium 8-[(4-chloro-3-nitrobenzoyl)amino]naphthalene-1,3,5-trisulfonate Traditional Name: trisodium 8-[(4-chloro-3-nitro-benzoyl)amino]naphthalene-1,3,5-trisulfonate Formula: C17H8ClN2Na3O12S3 MolecularWeight: 632.86893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O12S3.3Na/c18-11-2-1-8(5-13(11)20(22)23)17(21)19-12-3-4-14(34(27,28)29)10-6-9(33(24,25)26)7-15(16(10)12)35(30,31)32;;;/h1-7H,(H,19,21)(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3