6-methylimino-5-[2-[5-[[methyl-[6-oxidanylidene-4-(3-sulfopropylsulfanyl)-1H-1,3,5-triazin-2-yl]amino]methyl]-2-sulfo-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: 6-methylimino-5-[2-[5-[[methyl-[6-oxidanylidene-4-(3-sulfopropylsulfanyl)-1H-1,3,5-triazin-2-yl]amino]methyl]-2-sulfo-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: 6-methylimino-5-[2-[5-[[methyl-[6-oxo-4-(3-sulfopropylsulfanyl)-1H-1,3,5-triazin-2-yl]amino]methyl]-2-sulfo-phenyl]hydrazino]-4-oxo-naphthalene-2-sulfonic acid CAS Name: 6-methylimino-5-[[5-[[methyl-[6-oxo-4-(3-sulfopropylthio)-1H-1,3,5-triazin-2-yl]amino]methyl]-2-sulfophenyl]hydrazo]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: 6-methylimino-5-[2-[5-[[methyl-[6-oxo-4-(3-sulfopropylsulfanyl)-1H-1,3,5-triazin-2-yl]amino]methyl]-2-sulfophenyl]hydrazinyl]-4-oxonaphthalene-2-sulfonic acid Traditional Name: 4-keto-5-[N'-[5-[[[6-keto-4-(3-sulfopropylthio)-1H-s-triazin-2-yl]-methyl-amino]methyl]-2-sulfo-phenyl]hydrazino]-6-methylimino-naphthalene-2-sulfonic acid Formula: C25H27N7O11S4 MolecularWeight: 729.78218

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1C=CC2=CC(=CC(=O)C2=C1NNC3=C(C=CC(=C3)CN(C)C4=NC(=NC(=O)N4)SCCCS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CN=C1C=CC2=CC(=CC(=O)C2=C1NNC3=C(C=CC(=C3)CN(C)C4=NC(=NC(=O)N4)SCCCS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C25H27N7O11S4/c1-26-17-6-5-15-11-16(46(38,39)40)12-19(33)21(15)22(17)31-30-18-10-14(4-7-20(18)47(41,42)43)13-32(2)23-27-24(34)29-25(28-23)44-8-3-9-45(35,36)37/h4-7,10-12,30-31H,3,8-9,13H2,1-2H3,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,27,28,29,34)