5-[2-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinyl]-4-oxidanylidene-3-[[2-oxidanyl-4-[3-oxidanylidene-4-[(2-oxidanylidene-3,6-disulfo-naphthalen-1-ylidene)hydrazinylidene]cyclohexa-1,5-dien-1-yl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid

Systemtic Name: 5-[2-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinyl]-4-oxidanylidene-3-[[2-oxidanyl-4-[3-oxidanylidene-4-[(2-oxidanylidene-3,6-disulfo-naphthalen-1-ylidene)hydrazinylidene]cyclohexa-1,5-dien-1-yl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid Openeye Name: 3-[[2-hydroxy-4-[3-oxo-4-[(2-oxo-3,6-disulfo-1-naphthylidene)hydrazono]cyclohexa-1,5-dien-1-yl]phenyl]hydrazono]-5-[2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazino]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: 3-[[2-hydroxy-4-[3-oxo-4-[(2-oxo-3,6-disulfo-1-naphthalenylidene)hydrazinylidene]-1-cyclohexa-1,5-dienyl]phenyl]hydrazinylidene]-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazo]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: 3-[[2-hydroxy-4-[3-oxo-4-[(2-oxo-3,6-disulfonaphthalen-1-ylidene)hydrazinylidene]cyclohexa-1,5-dien-1-yl]phenyl]hydrazinylidene]-5-[2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinyl]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: 3-[[2-hydroxy-4-[3-keto-4-[(2-keto-3,6-disulfo-1-naphthylidene)hydrazono]cyclohexa-1,5-dien-1-yl]phenyl]hydrazono]-4-keto-5-[N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)hydrazino]naphthalene-2,7-disulfonic acid Formula: C42H30N8O17S4 MolecularWeight: 1046.991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NNC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=NNC4=C(C=C(C=C4)C5=CC(=O)C(=NN=C6C7=C(C=C(C=C7)S(=O)(=O)O)C=C(C6=O)S(=O)(=O)O)C=C5)O)C3=O)S(=O)(=O)O)C8=CC=CC=C8

Isomeric SMILES

CC1=NN(C(=O)C1NNC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=NNC4=C(C=C(C=C4)C5=CC(=O)C(=NN=C6C7=C(C=C(C=C7)S(=O)(=O)O)C=C(C6=O)S(=O)(=O)O)C=C5)O)C3=O)S(=O)(=O)O)C8=CC=CC=C8

InChI

InChI=1S/C42H30N8O17S4/c1-20-37(42(55)50(49-20)25-5-3-2-4-6-25)46-45-31-19-27(69(59,60)61)14-24-18-34(70(62,63)64)39(41(54)36(24)31)48-44-30-12-8-22(16-33(30)52)21-7-11-29(32(51)15-21)43-47-38-28-10-9-26(68(56,57)58)13-23(28)17-35(40(38)53)71(65,66)67/h2-19,37,44-46,52H,1H3,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)