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Substance Name: Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatephosphate
RN: 68310-07-6
InChIKey: FFMXWIROJGUGCI-UHFFFAOYSA-K

Molecular Formula

  • C27-H29-N2-O3.x-Unspecified

Molecular Weight

  • 2402.59
 
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Names and Synonyms

Synonym

  • EINECS 269-695-8

Systematic Name

  • Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatephosphate

Registry Numbers

CAS Registry Number

  • 68310-07-6

Other Registry Numbers

  • 102082-93-9
  • 103458-25-9
  • 121889-92-7

System Generated Number

  • 0068310076

Molecular Formulas

Molecular Formula

  • C27-H29-N2-O3.x-Unspecified

Molecular Formula Fragments

  • C27-H29-N2-O3
  • COMPONENT
  • Unspecified

Structure Descriptors

InChI

1S/5C27H29N2O3.Mo.H3O4P.4O/c5*1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24;;1-5(2,3)4;;;;/h5*8-15,28-29H,6-7H2,1-5H3;;(H3,1,2,3,4);;;;/q5*+1;;;;;2*-1/p-3

InChIKey

FFMXWIROJGUGCI-UHFFFAOYSA-K

Smiles

c1(c2c(C(=O)OC)cccc2)c2cc(c(NCC)cc2[o+]c2cc(NCC)c(cc12)C)C.c1(c2cc(c(cc2[o+]c2cc(c(cc12)C)NCC)NCC)C)c1c(cccc1)C(=O)OC.c1(c2cc(c(cc2[o+]c2cc(c(cc12)C)NCC)NCC)C)c1c(cccc1)C(=O)OC.c1(c2cc(c(cc2[o+]c2cc(c(cc12)C)NCC)NCC)C)c1c(cccc1)C(=O)OC.c1(c2cc(c(cc2[o+]c2cc(c(cc12)C)NCC)NCC)C)c1c(cccc1)C(=O)OC.[Mo](=O)(=O)([O-])[O-].P(=O)([O-])([O-])[O-]