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

Systemtic Name: trisodium 8-[[4-methoxy-3-[(3-nitrophenyl)carbonylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonate Openeye Name: trisodium 8-[[4-methoxy-3-[(3-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate CAS Name: trisodium 8-[[[4-methoxy-3-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonate IUPAC Name: trisodium 8-[[4-methoxy-3-[(3-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate Traditional Name: trisodium 8-[[4-methoxy-3-[(3-nitrobenzoyl)amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate Formula: C25H16N3Na3O14S3 MolecularWeight: 747.57055

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C25H19N3O14S3.3Na/c1-42-20-7-5-14(10-19(20)27-24(29)13-3-2-4-15(9-13)28(31)32)25(30)26-18-6-8-21(44(36,37)38)17-11-16(43(33,34)35)12-22(23(17)18)45(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