trisodium (6E)-4-[(4-chloranyl-6-ethoxy-1,3,5-triazin-2-yl)amino]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-6-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium (6E)-4-[(4-chloranyl-6-ethoxy-1,3,5-triazin-2-yl)amino]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-6-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (6E)-4-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-7-oxidoperoxysulfanyl-5-oxo-6-[(2-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (6E)-4-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-7-(oxidodioxythio)-5-oxo-6-[(2-sulfonatophenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (6E)-4-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-7-oxidoperoxysulfanyl-5-oxo-6-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (6E)-4-[(4-chloro-6-ethoxy-s-triazin-2-yl)amino]-5-keto-7-(oxidoperoxythio)-6-[(2-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate Formula: C21H14ClN6Na3O11S3 MolecularWeight: 726.98677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=CC=CC=C4S(=O)(=O)[O-])C3=O)SOO[O-])Cl.[Na+].[Na+].[Na+]

Isomeric SMILES

CCOC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N/NC4=CC=CC=C4S(=O)(=O)[O-])/C3=O)SOO[O-])Cl.[Na+].[Na+].[Na+]

InChI

InChI=1S/C21H17ClN6O11S3.3Na/c1-2-37-21-25-19(22)24-20(26-21)23-13-9-11(41(31,32)33)7-10-8-14(40-39-38-30)17(18(29)16(10)13)28-27-12-5-3-4-6-15(12)42(34,35)36;;;/h3-9,27,30H,2H2,1H3,(H,31,32,33)(H,34,35,36)(H,23,24,25,26);;;/q;3*+1/p-3/b28-17-;;;