7-[[4-[[2,3-bis(chloranyl)quinoxalin-6-yl]carbonylamino]-5-sulfo-naphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 7-[[4-[[2,3-bis(chloranyl)quinoxalin-6-yl]carbonylamino]-5-sulfo-naphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid Openeye Name: 7-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-sulfo-1-naphthyl]azo]naphthalene-1,3,5-trisulfonic acid CAS Name: 7-[[4-[[(2,3-dichloro-6-quinoxalinyl)-oxomethyl]amino]-5-sulfo-1-naphthalenyl]azo]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 7-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid Traditional Name: 7-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-sulfo-1-naphthyl]azo]naphthalene-1,3,5-trisulfonic acid Formula: C29H17Cl2N5O13S4 MolecularWeight: 842.63698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)NC(=O)C3=CC4=C(C=C3)N=C(C(=N4)Cl)Cl)N=NC5=CC(=C6C=C(C=C(C6=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)NC(=O)C3=CC4=C(C=C3)N=C(C(=N4)Cl)Cl)N=NC5=CC(=C6C=C(C=C(C6=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C29H17Cl2N5O13S4/c30-27-28(31)33-22-8-13(4-5-20(22)32-27)29(37)34-21-7-6-19(16-2-1-3-23(26(16)21)51(41,42)43)36-35-14-9-17-18(24(10-14)52(44,45)46)11-15(50(38,39)40)12-25(17)53(47,48)49/h1-12H,(H,34,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)