tricopper; hydron; 7-[[6-[[4-[4-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]-3-oxidanidyl-phenyl]-2-oxidanidyl-phenyl]diazenyl]-1,5-bis(oxidanidyl)-7-sulfonato-naphthalen-2-yl]diazenyl]-8-oxidanidyl-naphthalene-1,3,6-trisulfonate

Systemtic Name: tricopper; hydron; 7-[[6-[[4-[4-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]-3-oxidanidyl-phenyl]-2-oxidanidyl-phenyl]diazenyl]-1,5-bis(oxidanidyl)-7-sulfonato-naphthalen-2-yl]diazenyl]-8-oxidanidyl-naphthalene-1,3,6-trisulfonate Openeye Name: tricopper; hydron; 7-[[6-[4-[4-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-3-oxido-phenyl]-2-oxido-phenyl]azo-1,5-dioxido-7-sulfonato-2-naphthyl]azo]-8-oxido-naphthalene-1,3,6-trisulfonate CAS Name: tricopper; hydron; 7-[[6-[4-[4-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]-3-oxidophenyl]-2-oxidophenyl]azo-1,5-dioxido-7-sulfonato-2-naphthalenyl]azo]-8-oxidonaphthalene-1,3,6-trisulfonate IUPAC Name: tricopper; hydron; 7-[[6-[[4-[4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-1,5-dioxido-7-sulfonatonaphthalen-2-yl]diazenyl]-8-oxidonaphthalene-1,3,6-trisulfonate Traditional Name: tricupric; hydron; 7-[[6-[4-[4-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-3-oxido-phenyl]-2-oxido-phenyl]azo-1,5-dioxido-7-sulfonato-2-naphthyl]azo]-8-oxido-naphthalene-1,3,6-trisulfonate Formula: C42H24Cu3N8O18S4 MolecularWeight: 1247.58076

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].[H+].[H+].CC1=NN(C(=C1N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=C(C=C5C(=C4[O-])C=CC(=C5[O-])N=NC6=C(C7=C(C=C(C=C7C=C6S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])[O-])[O-])[O-])C8=CC=CC=C8.[Cu+2].[Cu+2].[Cu+2]

Isomeric SMILES

[H+].[H+].[H+].[H+].CC1=NN(C(=C1N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=C(C=C5C(=C4[O-])C=CC(=C5[O-])N=NC6=C(C7=C(C=C(C=C7C=C6S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])[O-])[O-])[O-])C8=CC=CC=C8.[Cu+2].[Cu+2].[Cu+2]

InChI

InChI=1S/C42H30N8O18S4.3Cu/c1-19-36(42(56)50(49-19)23-5-3-2-4-6-23)46-43-27-10-7-20(14-30(27)51)21-8-11-28(31(52)15-21)44-47-37-34(72(66,67)68)18-26-25(40(37)54)9-12-29(39(26)53)45-48-38-33(71(63,64)65)16-22-13-24(69(57,58)59)17-32(70(60,61)62)35(22)41(38)55;;;/h2-18,51-56H,1H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q;3*+2/p-6