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

Systemtic Name: trisodium 8-[(4-methyl-3-nitro-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonate Openeye Name: trisodium 8-[(4-methyl-3-nitro-benzoyl)amino]naphthalene-1,3,5-trisulfonate CAS Name: trisodium 8-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]naphthalene-1,3,5-trisulfonate IUPAC Name: trisodium 8-[(4-methyl-3-nitrobenzoyl)amino]naphthalene-1,3,5-trisulfonate Traditional Name: trisodium 8-[(4-methyl-3-nitro-benzoyl)amino]naphthalene-1,3,5-trisulfonate Formula: C18H11N2Na3O12S3 MolecularWeight: 612.45045

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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-])[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-])[N+](=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H14N2O12S3.3Na/c1-9-2-3-10(6-14(9)20(22)23)18(21)19-13-4-5-15(34(27,28)29)12-7-11(33(24,25)26)8-16(17(12)13)35(30,31)32;;;/h2-8H,1H3,(H,19,21)(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3