trisodium 6-[[6-[(7-methyl-5-sulfonato-naphthalen-2-yl)amino]-4-sulfanylidene-1H-1,3,5-triazin-2-yl]amino]-3-oxidanidylperoxysulfanyl-naphthalene-1-sulfonate

Systemtic Name: trisodium 6-[[6-[(7-methyl-5-sulfonato-naphthalen-2-yl)amino]-4-sulfanylidene-1H-1,3,5-triazin-2-yl]amino]-3-oxidanidylperoxysulfanyl-naphthalene-1-sulfonate Openeye Name: trisodium 6-[[6-[(7-methyl-5-sulfonato-2-naphthyl)amino]-4-thioxo-1H-1,3,5-triazin-2-yl]amino]-3-oxidoperoxysulfanyl-naphthalene-1-sulfonate CAS Name: trisodium 6-[[6-[(7-methyl-5-sulfonato-2-naphthalenyl)amino]-4-sulfanylidene-1H-1,3,5-triazin-2-yl]amino]-3-(oxidodioxythio)-1-naphthalenesulfonate IUPAC Name: trisodium 6-[[6-[(7-methyl-5-sulfonatonaphthalen-2-yl)amino]-4-sulfanylidene-1H-1,3,5-triazin-2-yl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate Traditional Name: trisodium 6-[[6-[(7-methyl-5-sulfonato-2-naphthyl)amino]-4-thioxo-1H-s-triazin-2-yl]amino]-3-(oxidoperoxythio)naphthalene-1-sulfonate Formula: C24H16N5Na3O9S4 MolecularWeight: 715.64125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC(=CC2=C1)NC3=NC(=S)N=C(N3)NC4=CC5=CC(=CC(=C5C=C4)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C2C=CC(=CC2=C1)NC3=NC(=S)N=C(N3)NC4=CC5=CC(=CC(=C5C=C4)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H19N5O9S4.3Na/c1-12-6-13-8-15(2-4-18(13)20(7-12)41(31,32)33)25-22-27-23(29-24(39)28-22)26-16-3-5-19-14(9-16)10-17(40-38-37-30)11-21(19)42(34,35)36;;;/h2-11,30H,1H3,(H,31,32,33)(H,34,35,36)(H3,25,26,27,28,29,39);;;/q;3*+1/p-3