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Substance Name: Pigment Blue 1, phosphomolybdate
RN: 68083-42-1
InChIKey: VNKUPALUCBWLJX-UHFFFAOYSA-N

Molecular Formula

  • C33-H40-N3.1/3Mo12-O40-P

Molecular Weight

  • 1474.23
 
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Names and Synonyms

Results Name

  • Pigment Blue 1, phosphomolybdate

Synonyms

  • C.I. Pigment Blue 1, phosphomolybdate
  • EINECS 268-391-2
  • Victoria pure blue BO, phosphomolybdate

Systematic Names

  • Ethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-kappaO:kappaO:kappaO:kappaO':kappaO':kappaO':kappaO'':kappaO'':kappaO'':kappaO''':kappaO''':kappaO'''))dodecamolybdate(3-) (3:1)
  • Ethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-O:O:O:O':O':O':O'':O'':O'':O''':O''':O'''))dodecamolybdate(3-) (3:1)

Registry Numbers

CAS Registry Number

  • 68083-42-1

System Generated Number

  • 0068083421

Molecular Formulas

Molecular Formula

  • C33-H40-N3.1/3Mo12-O40-P

Molecular Formula Fragments

  • C33-H40-N3
  • COMPONENT
  • Mo12-O40-P

Structure Descriptors

InChI

1S/3C33H42N3.2CH4/c3*1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;;/h3*11-25,33-34H,6-10H2,1-5H3;2*1H4/q3*+1;;

InChIKey

VNKUPALUCBWLJX-UHFFFAOYSA-N

Smiles

c12c(c(ccc2NCC)[C@@H](c2ccc(N(CC)CC)cc2)C2C=C\C(C=C2)=[N+](\CC)CC)cccc1.C.C.c12c(NCC)ccc([C@@H](c3ccc(N(CC)CC)cc3)C3C=C\C(=[N+](\CC)CC)C=C3)c1cccc2.c12c(NCC)ccc([C@@H](c3ccc(N(CC)CC)cc3)C3C=C\C(=[N+](\CC)CC)C=C3)c1cccc2