8-[(4-chloranyl-3-nitro-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[(4-chloranyl-3-nitro-phenyl)carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[(4-chloro-3-nitro-benzoyl)amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[(4-chloro-3-nitrobenzoyl)amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[(4-chloro-3-nitro-benzoyl)amino]naphthalene-1,3,5-trisulfonic acid Formula: C17H11ClN2O12S3 MolecularWeight: 566.92344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H11ClN2O12S3/c18-11-2-1-8(5-13(11)20(22)23)17(21)19-12-3-4-14(34(27,28)29)10-6-9(33(24,25)26)7-15(16(10)12)35(30,31)32/h1-7H,(H,19,21)(H,24,25,26)(H,27,28,29)(H,30,31,32)