Cuprate(4-), [μ3-[7-[2-[6-[2-[4′-[2-[4,5-dihydro-3-methyl-5-(oxo-κO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-κN1]-3,3′-di(hydroxy-κO)[1,1′-biphenyl]-4-yl]diazenyl-κN1]-1,5-di(hydroxy-κO)-7-sulfo-2-naphthalenyl]diazenyl-κN1]-8-(hydroxy-κO)-1,3,6-naphthalenetrisulfonato(10-)]]tri-, hydrogen (1:4)

CAS Registry Number®

71735-54-1

CAS Name

Cuprate(4-), [μ3-[7-[2-[6-[2-[4′-[2-[4,5-dihydro-3-methyl-5-(oxo-κO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-κN1]-3,3′-di(hydroxy-κO)[1,1′-biphenyl]-4-yl]diazenyl-κN1]-1,5-di(hydroxy-κO)-7-sulfo-2-naphthalenyl]diazenyl-κN1]-8-(hydroxy-κO)-1,3,6-naphthalenetrisulfonato(10-)]]tri-, hydrogen (1:4)

Molecular Formula

C42H20Cu3N8O18S4.4H

Cite this Page

Cuprate(4-), [μ3-[7-[2-[6-[2-[4′-[2-[4,5-dihydro-3-methyl-5-(oxo-κO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-κN1]-3,3′-di(hydroxy-κO)[1,1′-biphenyl]-4-yl]diazenyl-κN1]-1,5-di(hydroxy-κO)-7-sulfo-2-naphthalenyl]diazenyl-κN1]-8-(hydroxy-κO)-1,3,6-naphthalenetrisulfonato(10-)]]tri-, hydrogen (1:4).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71735-54-1 (retrieved 2024-11-26) (CAS RN: 71735-54-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H29N8O18S4.3Cu/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;;;/h2-18,51-55H,1H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q-1;3*+2/p-5

InChIKey

InChIKey=QTIFPSUVFHSYCJ-UHFFFAOYSA-I

SMILES

S(=O)(=O)([O-])C1=C2C(=C3C(=C1)C=C(S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])[O-][Cu+2]4[N]2=NC5=C([O-]4)C=6C(C=C5)=C7C(=C(S(=O)(=O)[O-])C6)[N]=8[Cu+2]([O-]7)[O-]C=9C(N8)=CC=C(C9)C=%10C=C%11C(=CC%10)[N]=%12[Cu+2]([O-]%11)O=C%13[C-](N%12)C(C)=NN%13C%14=CC=CC=C%14.[H+]

Canonical SMILES

[H+].O=S(=O)([O-])C=1C=C2C=C(C3=C([O-][Cu+2]4[O-]C5=C(N=[N]34)C=CC6=C7[O-][Cu+2]8[O-]C=9C=C(C=CC9N=[N]8C7=C(C=C56)S(=O)(=O)[O-])C=%10C=CC%11=C([O-][Cu+2]%12O=C%13[C-](N=[N]%11%12)C(=NN%13C=%14C=CC=CC%14)C)C%10)C2=C(C1)S(=O)(=O)[O-])S(=O)(=O)[O-]

Other Names for this Substance

  • Cuprate(4-), [μ3-[7-[2-[6-[2-[4′-[2-[4,5-dihydro-3-methyl-5-(oxo-κO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-κN1]-3,3′-di(hydroxy-κO)[1,1′-biphenyl]-4-yl]diazenyl-κN1]-1,5-di(hydroxy-κO)-7-sulfo-2-naphthalenyl]diazenyl-κN1]-8-(hydroxy-κO)-1,3,6-naphthalenetrisulfonato(10-)]]tri-, hydrogen (1:4)
  • Cuprate(4-), [μ3-[7-[[6-[[4′-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3,3′-dihydroxy[1,1′-biphenyl]-4-yl]azo]-1,5-dihydroxy-7-sulfo-2-naphthalenyl]azo]-8-hydroxy-1,3,6-naphthalenetrisulfonato(10-)]]tri-, tetrahydrogen
  • Cuprate(4-), [μ3-[7-[[6-[[4′-[[4,5-dihydro-3-methyl-5-(oxo-κO)-1-phenyl-1H-pyrazol-4-yl]azo-κN1]-3,3′-di(hydroxy-κO)[1,1′-biphenyl]-4-yl]azo-κN1]-1,5-di(hydroxy-κO)-7-sulfo-2-naphthalenyl]azo-κN1]-8-(hydroxy-κO)-1,3,6-naphthalenetrisulfonato(10-)]]tri-, tetrahydrogen
  • 1,3,6-Naphthalenetrisulfonic acid, 7-[[6-[[4′-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3,3′-dihydroxy[1,1′-biphenyl]-4-yl]azo]-1,5-dihydroxy-7-sulfo-2-naphthalenyl]azo]-8-hydroxy-, copper complex

CAS INSIGHTSTM
Hourglass and a clock