7-[[6-[[4-[(4-nitro-2-sulfonato-phenyl)diazenyl]-7-sulfonato-naphthalen-1-yl]hydrazinylidene]-5-oxidanylidene-7-sulfonato-naphthalen-2-yl]amino]-4-oxidanylidene-3-[(5-oxidanyl-7-sulfonato-naphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: 7-[[6-[[4-[(4-nitro-2-sulfonato-phenyl)diazenyl]-7-sulfonato-naphthalen-1-yl]hydrazinylidene]-5-oxidanylidene-7-sulfonato-naphthalen-2-yl]amino]-4-oxidanylidene-3-[(5-oxidanyl-7-sulfonato-naphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: 3-[(5-hydroxy-7-sulfonato-2-naphthyl)hydrazono]-7-[[6-[[4-(4-nitro-2-sulfonato-phenyl)azo-7-sulfonato-1-naphthyl]hydrazono]-5-oxo-7-sulfonato-2-naphthyl]amino]-4-oxo-naphthalene-2-sulfonate CAS Name: 3-[(5-hydroxy-7-sulfonato-2-naphthalenyl)hydrazinylidene]-7-[[6-[[4-(4-nitro-2-sulfonatophenyl)azo-7-sulfonato-1-naphthalenyl]hydrazinylidene]-5-oxo-7-sulfonato-2-naphthalenyl]amino]-4-oxo-2-naphthalenesulfonate IUPAC Name: 3-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)hydrazinylidene]-7-[[6-[[4-[(4-nitro-2-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-1-yl]hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate Traditional Name: 3-[(5-hydroxy-7-sulfonato-2-naphthyl)hydrazono]-4-keto-7-[[5-keto-6-[[4-(4-nitro-2-sulfonato-phenyl)azo-7-sulfonato-1-naphthyl]hydrazono]-7-sulfonato-2-naphthyl]amino]naphthalene-2-sulfonate Formula: C46H25N8O20S5-5 MolecularWeight: 1170.0573

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC5=CC6=C(C=C5)C(=O)C(=NNC7=C8C=C(C=CC8=C(C=C7)N=NC9=C(C=C(C=C9)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC5=CC6=C(C=C5)C(=O)C(=NNC7=C8C=C(C=CC8=C(C=C7)N=NC9=C(C=C(C=C9)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O

InChI

InChI=1S/C46H30N8O20S5/c55-39-21-30(76(63,64)65)16-22-15-27(3-6-31(22)39)48-52-43-41(78(69,70)71)17-23-13-25(1-7-32(23)45(43)56)47-26-2-8-33-24(14-26)18-42(79(72,73)74)44(46(33)57)53-50-37-12-11-36(34-9-5-29(20-35(34)37)75(60,61)62)49-51-38-10-4-28(54(58)59)19-40(38)77(66,67)68/h1-21,47-48,50,55H,(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)/p-5