8-[(4-nitrophenyl)carbonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(4-nitrophenyl)carbonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[(4-nitrobenzoyl)amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[(4-nitrophenyl)-oxomethyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[(4-nitrobenzoyl)amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[(4-nitrobenzoyl)amino]naphthalene-1,3,6-trisulfonic acid Formula: C17H12N2O12S3 MolecularWeight: 532.47838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O12S3/c20-17(9-1-3-11(4-2-9)19(21)22)18-14-7-12(32(23,24)25)5-10-6-13(33(26,27)28)8-15(16(10)14)34(29,30)31/h1-8H,(H,18,20)(H,23,24,25)(H,26,27,28)(H,29,30,31)