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Substance Name: 6-Methylditercalanium methanesulfonate
RN: 116963-06-5
InChIKey: BHFUWPSPHUKVBB-UHFFFAOYSA-N

Molecular Weight

  • 1129.4
 
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Names and Synonyms

  • 6-Methylditercalanium methanesulfonate

Registry Numbers

CAS Registry Number

  • 116963-06-5

System Generated Number

  • 0116963065

Structure Descriptors

InChI

1S/C48H52N6O2.4CH4O3S/c1-31-25-35-13-19-53(29-41(35)45-39-27-37(55-3)5-7-43(39)49-47(31)45)23-21-51-15-9-33(10-16-51)34-11-17-52(18-12-34)22-24-54-20-14-36-26-32(2)48-46(42(36)30-54)40-28-38(56-4)6-8-44(40)50-48;4*1-5(2,3)4/h5-8,13-14,19-20,25-30,33-34H,9-12,15-18,21-24H2,1-4H3;4*1H3,(H,2,3,4)

InChIKey

BHFUWPSPHUKVBB-UHFFFAOYSA-N

Smiles

C1(C2CCN(CC[n+]3ccc4c(c3)c3c(c(c4)C)[nH]c4c3cc(cc4)OC)CC2)CCN(CC[n+]2cc3c(cc2)cc(c2c3c3c([nH]2)ccc(c3)OC)C)CC1.S([O-])(=O)(=O)C.S([O-])(=O)(=O)C.S(O)(=O)(=O)C.S(O)(=O)(=O)C