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

Systemtic Name: trisodium 8-[[4-methyl-3-[(3-nitrophenyl)carbonylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonate Openeye Name: trisodium 8-[[4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate CAS Name: trisodium 8-[[[4-methyl-3-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonate IUPAC Name: trisodium 8-[[4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate Traditional Name: trisodium 8-[[4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate Formula: C25H16N3Na3O13S3 MolecularWeight: 731.57115

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC(=CC=C4)[N+](=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC(=CC=C4)[N+](=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H19N3O13S3.3Na/c1-13-5-6-15(10-20(13)27-24(29)14-3-2-4-16(9-14)28(31)32)25(30)26-19-7-8-21(43(36,37)38)18-11-17(42(33,34)35)12-22(23(18)19)44(39,40)41;;;/h2-12H,1H3,(H,26,30)(H,27,29)(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3