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Substance Name: 1-Propanaminium, 3,3',3'',3'''-((9,10-dihydro-9,10-dioxo-1,4,5,8-anthracenetetrayl)tetraimino)tetrakis(N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:4)
RN: 71156-05-3
InChIKey: CNDZBXFQITYMBI-UHFFFAOYSA-L

Molecular Formula

  • C38-H68-N8-O2.4C7-H7-O3-S

Molecular Weight

  • 1353.7904
 
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Names and Synonyms

  • 1-Propanaminium, 3,3',3'',3'''-((9,10-dihydro-9,10-dioxo-1,4,5,8-anthracenetetrayl)tetraimino)tetrakis(N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:4)
  • 1-Propanaminium, 3,3',3'',3'''-((9,10-dihydro-9,10-dioxo-1,4,5,8-anthracenetetrayl)tetraimino)tetrakis(N,N,N-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:4)

Registry Numbers

CAS Registry Number

  • 71156-05-3

System Generated Number

  • 0071156053

Molecular Formulas

Molecular Formula

  • C38-H68-N8-O2.4C7-H7-O3-S

Molecular Formula Fragments

  • C38-H68-N8-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C38H66N8O2.4C7H8O3S/c1-43(2,3)25-13-21-39-29-17-18-30(40-22-14-26-44(4,5)6)34-33(29)37(47)35-31(41-23-15-27-45(7,8)9)19-20-32(36(35)38(34)48)42-24-16-28-46(10,11)12;4*1-6-2-4-7(5-3-6)11(8,9)10/h17-20H,13-16,21-28H2,1-12H3,(H2-2,39,40,41,42,47,48);4*2-5H,1H3,(H,8,9,10)/q+2;;;;/p-2

InChIKey

CNDZBXFQITYMBI-UHFFFAOYSA-L

Smiles

Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].C[N+](C)(C)CCCNc1ccc(c2c1C(=O)c3c(ccc(c3C2=O)NCCC[N+](C)(C)C)NCCC[N+](C)(C)C)NCCC[N+](C)(C)C