7-[(3-nitrophenyl)carbonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 7-[(3-nitrophenyl)carbonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 7-[(3-nitrobenzoyl)amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 7-[[(3-nitrophenyl)-oxomethyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 7-[(3-nitrobenzoyl)amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 7-[(3-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(=C1)[N+](=O)[O-])C(=O)NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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