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

Systemtic Name: 8-[[4-(4-nitrophenyl)phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[[4-(4-nitrophenyl)benzoyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[[4-(4-nitrophenyl)phenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[[4-(4-nitrophenyl)benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[[4-(4-nitrophenyl)benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Formula: C23H16N2O12S3 MolecularWeight: 608.57434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C23H16N2O12S3/c26-23(15-3-1-13(2-4-15)14-5-7-16(8-6-14)25(27)28)24-19-9-10-20(39(32,33)34)18-11-17(38(29,30)31)12-21(22(18)19)40(35,36)37/h1-12H,(H,24,26)(H,29,30,31)(H,32,33,34)(H,35,36,37)