3,6-bis[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)hydrazinylidene]-4,5-bis(oxidanylidene)naphthalene-2,7-disulfonate

Systemtic Name: 3,6-bis[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)hydrazinylidene]-4,5-bis(oxidanylidene)naphthalene-2,7-disulfonate Openeye Name: 3,6-bis[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)hydrazono]-4,5-dioxo-naphthalene-2,7-disulfonate CAS Name: 3,6-bis[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonate IUPAC Name: 3,6-bis[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonate Traditional Name: 4,5-diketo-3,6-bis[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)hydrazono]naphthalene-2,7-disulfonate Formula: C32H26N8O10S2-2 MolecularWeight: 746.72644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NN=C3C(=CC4=C(C3=O)C(=O)C(=NNC5=C(N(N(C5=O)C6=CC=CC=C6)C)C)C(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NN=C3C(=CC4=C(C3=O)C(=O)C(=NNC5=C(N(N(C5=O)C6=CC=CC=C6)C)C)C(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C32H28N8O10S2/c1-17-25(31(43)39(37(17)3)20-11-7-5-8-12-20)33-35-27-22(51(45,46)47)15-19-16-23(52(48,49)50)28(30(42)24(19)29(27)41)36-34-26-18(2)38(4)40(32(26)44)21-13-9-6-10-14-21/h5-16,33-34H,1-4H3,(H,45,46,47)(H,48,49,50)/p-2