8-[[4-(2-nitrophenyl)phenyl]carbonylamino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid

Systemtic Name: 8-[[4-(2-nitrophenyl)phenyl]carbonylamino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid Openeye Name: 8-[[4-(2-nitrophenyl)benzoyl]amino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid CAS Name: 8-[[[4-(2-nitrophenyl)phenyl]-oxomethyl]amino]-3-(trioxidanylthio)naphthalene-1,5-disulfonic acid IUPAC Name: 8-[[4-(2-nitrophenyl)benzoyl]amino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid Traditional Name: 8-[[4-(2-nitrophenyl)benzoyl]amino]-3-(trioxidanylthio)naphthalene-1,5-disulfonic acid Formula: C23H16N2O12S3 MolecularWeight: 608.57434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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