(3Z)-5-[[2,3-bis(chloranyl)quinoxalin-6-yl]carbonylamino]-4-oxidanylidene-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid

Systemtic Name: (3Z)-5-[[2,3-bis(chloranyl)quinoxalin-6-yl]carbonylamino]-4-oxidanylidene-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid Openeye Name: (3Z)-5-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-4-oxo-3-[(2-sulfophenyl)hydrazono]naphthalene-2,7-disulfonic acid CAS Name: (3Z)-5-[[(2,3-dichloro-6-quinoxalinyl)-oxomethyl]amino]-4-oxo-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid IUPAC Name: (3Z)-5-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-4-oxo-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid Traditional Name: (3Z)-5-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-4-keto-3-[(2-sulfophenyl)hydrazono]naphthalene-2,7-disulfonic acid Formula: C25H15Cl2N5O11S3 MolecularWeight: 728.5145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC(=O)C4=CC5=C(C=C4)N=C(C(=N5)Cl)Cl)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NC(=O)C4=CC5=C(C=C4)N=C(C(=N5)Cl)Cl)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C25H15Cl2N5O11S3/c26-23-24(27)29-16-8-11(5-6-14(16)28-23)25(34)30-17-10-13(44(35,36)37)7-12-9-19(46(41,42)43)21(22(33)20(12)17)32-31-15-3-1-2-4-18(15)45(38,39)40/h1-10,31H,(H,30,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)/b32-21+