hexasodium (3E)-5-[[4-methyl-6-[[(7E)-6-oxidanidylperoxysulfanyl-8-oxidanylidene-7-[(5-prop-2-enyl-2-sulfonato-phenyl)hydrazinylidene]-3-sulfonato-naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: hexasodium (3E)-5-[[4-methyl-6-[[(7E)-6-oxidanidylperoxysulfanyl-8-oxidanylidene-7-[(5-prop-2-enyl-2-sulfonato-phenyl)hydrazinylidene]-3-sulfonato-naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: hexasodium (3E)-5-[[4-[[(7E)-7-[(5-allyl-2-sulfonato-phenyl)hydrazono]-6-oxidoperoxysulfanyl-8-oxo-3-sulfonato-1-naphthyl]amino]-6-methyl-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(4-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: hexasodium (3E)-5-[[4-methyl-6-[[(7E)-6-(oxidodioxythio)-8-oxo-7-[(5-prop-2-enyl-2-sulfonatophenyl)hydrazinylidene]-3-sulfonato-1-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: hexasodium (3E)-5-[[4-methyl-6-[[(7E)-6-oxidoperoxysulfanyl-8-oxo-7-[(5-prop-2-enyl-2-sulfonatophenyl)hydrazinylidene]-3-sulfonatonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: hexasodium (3E)-5-[[4-[[(7E)-7-[(5-allyl-2-sulfonato-phenyl)hydrazono]-8-keto-6-(oxidoperoxythio)-3-sulfonato-1-naphthyl]amino]-6-methyl-s-triazin-2-yl]amino]-4-keto-3-[(4-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C39H25N9Na6O20S6 MolecularWeight: 1269.99272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=CC=C(C=C4)S(=O)(=O)[O-])C3=O)S(=O)(=O)[O-])NC5=C6C(=CC(=C5)S(=O)(=O)[O-])C=C(C(=NNC7=C(C=CC(=C7)CC=C)S(=O)(=O)[O-])C6=O)SOO[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N/NC4=CC=C(C=C4)S(=O)(=O)[O-])/C3=O)S(=O)(=O)[O-])NC5=C6C(=CC(=C5)S(=O)(=O)[O-])C=C(/C(=N/NC7=C(C=CC(=C7)CC=C)S(=O)(=O)[O-])/C6=O)SOO[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C39H31N9O20S6.6Na/c1-3-4-19-5-10-30(73(61,62)63)26(11-19)46-47-34-29(69-68-67-51)14-20-12-24(71(55,56)57)16-27(32(20)36(34)49)42-38-40-18(2)41-39(44-38)43-28-17-25(72(58,59)60)13-21-15-31(74(64,65)66)35(37(50)33(21)28)48-45-22-6-8-23(9-7-22)70(52,53)54;;;;;;/h3,5-17,45-46,51H,1,4H2,2H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,40,41,42,43,44);;;;;;/q;6*+1/p-6/b47-34-,48-35-;;;;;;