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Substance Name: Heptanoic acid, 1,1'-(5,10-dihydro-5,10-dioxoanthra(9,1,2-cde)benzo(rst)pentaphene-16,17-diyl) ester
RN: 71550-34-0
InChIKey: DPTMQBNDOLAEOQ-UHFFFAOYSA-N

Molecular Formula

  • C48-H40-O6

Molecular Weight

  • 712.838
 
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Names and Synonyms

Synonyms

  • 16,17-Dihydroxydinaphtho(1,2,3-cd:3',2',1'-lm)perylene-5,10-dione, diheptanoate
  • 16,17-Dihydroxyviolanthrone diheptanoate
  • EINECS 275-607-9

Systematic Names

  • 5,10-Dihydro-5,10-dioxoanthra(9,1,2-cde)benzo(rst)pentaphene-16,17-diyl bisheptanoate
  • Heptanoic acid, 1,1'-(5,10-dihydro-5,10-dioxoanthra(9,1,2-cde)benzo(rst)pentaphene-16,17-diyl) ester
  • Heptanoic acid, 5,10-dihydro-5,10-dioxoanthra(9,1,2-cde)benzo(rst)pentaphene-16,17-diyl ester

Registry Numbers

CAS Registry Number

  • 71550-34-0

Other Registry Number

  • 85369-04-6

System Generated Number

  • 0071550340

Structure Descriptors

InChI

1S/C48H40O6/c1-3-5-7-9-19-39(49)53-37-25-35-27-15-11-13-17-31(27)47(51)33-23-21-29-30-22-24-34-42-36(28-16-12-14-18-32(28)48(34)52)26-38(54-40(50)20-10-8-6-4-2)46(44(30)42)45(37)43(29)41(33)35/h11-18,21-26H,3-10,19-20H2,1-2H3

InChIKey

DPTMQBNDOLAEOQ-UHFFFAOYSA-N

Smiles

c1c2c3c4c(c1OC(CCCCCC)=O)c1c5c(c4ccc3C(c3ccccc23)=O)ccc2c5c(c3c(C2=O)cccc3)cc1OC(CCCCCC)=O