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

Systemtic Name: trisodium 8-[[3-[(3-nitrophenyl)carbonylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonate Openeye Name: trisodium 8-[[3-[(3-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate CAS Name: trisodium 8-[[[3-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonate IUPAC Name: trisodium 8-[[3-[(3-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate Traditional Name: trisodium 8-[[3-[(3-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate Formula: C24H14N3Na3O13S3 MolecularWeight: 717.54457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H17N3O13S3.3Na/c28-23(14-4-2-6-16(10-14)27(30)31)25-15-5-1-3-13(9-15)24(29)26-19-7-8-20(42(35,36)37)18-11-17(41(32,33)34)12-21(22(18)19)43(38,39)40;;;/h1-12H,(H,25,28)(H,26,29)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3