(3Z)-5-[[4-chloranyl-6-[(4-ethenylsulfonylphenyl)amino]-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid

Systemtic Name: (3Z)-5-[[4-chloranyl-6-[(4-ethenylsulfonylphenyl)amino]-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid Openeye Name: (3Z)-5-[[4-chloro-6-(4-vinylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfophenyl)hydrazono]naphthalene-2,7-disulfonic acid CAS Name: (3Z)-5-[[4-chloro-6-(4-ethenylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid IUPAC Name: (3Z)-5-[[4-chloro-6-(4-ethenylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid Traditional Name: (3Z)-5-[[4-chloro-6-(4-vinylsulfonylanilino)-s-triazin-2-yl]amino]-4-keto-3-[(2-sulfophenyl)hydrazono]naphthalene-2,7-disulfonic acid Formula: C27H20ClN7O12S4 MolecularWeight: 798.2004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=NNC5=CC=CC=C5S(=O)(=O)O)C4=O)S(=O)(=O)O

Isomeric SMILES

C=CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(/C(=N\NC5=CC=CC=C5S(=O)(=O)O)/C4=O)S(=O)(=O)O

InChI

InChI=1S/C27H20ClN7O12S4/c1-2-48(37,38)16-9-7-15(8-10-16)29-26-31-25(28)32-27(33-26)30-19-13-17(49(39,40)41)11-14-12-21(51(45,46)47)23(24(36)22(14)19)35-34-18-5-3-4-6-20(18)50(42,43)44/h2-13,34H,1H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33)/b35-23+