5-[3-carboxy-4-[(4-nitrophenyl)sulfonylamino]phenyl]carbonyl-2-[(4-nitrophenyl)sulfonylamino]benzoic acid

Systemtic Name: 5-[3-carboxy-4-[(4-nitrophenyl)sulfonylamino]phenyl]carbonyl-2-[(4-nitrophenyl)sulfonylamino]benzoic acid Openeye Name: 5-[3-carboxy-4-[(4-nitrophenyl)sulfonylamino]benzoyl]-2-[(4-nitrophenyl)sulfonylamino]benzoic acid CAS Name: 5-[[3-carboxy-4-[(4-nitrophenyl)sulfonylamino]phenyl]-oxomethyl]-2-[(4-nitrophenyl)sulfonylamino]benzoic acid IUPAC Name: 5-[3-carboxy-4-[(4-nitrophenyl)sulfonylamino]benzoyl]-2-[(4-nitrophenyl)sulfonylamino]benzoic acid Traditional Name: 5-[3-carboxy-4-(nosylamino)benzoyl]-2-(nosylamino)benzoic acid Formula: C27H18N4O13S2 MolecularWeight: 670.58082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C27H18N4O13S2/c32-25(15-1-11-23(21(13-15)26(33)34)28-45(41,42)19-7-3-17(4-8-19)30(37)38)16-2-12-24(22(14-16)27(35)36)29-46(43,44)20-9-5-18(6-10-20)31(39)40/h1-14,28-29H,(H,33,34)(H,35,36)