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Substance Name: Nidulin
RN: 1329-04-0
InChIKey: FSINAZMQWFDQSD-VOTSOKGWSA-N

Molecular Formula

  • C20-H17-Cl3-O5

Molecular Weight

  • 443.7083
 
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Names and Synonyms

Name of Substance

  • Nidulin

Synonym

  • O-Methylustin

Systematic Name

  • 11H-Dibenzo(b,e)(1,4)dioxepin-11-one, 2,4,6(or 2,4,7)-trichloro-3-hydroxy-8-methoxy-1,9-dimethyl-7(or 6)-(1-methyl-1-propenyl)-

Registry Numbers

CAS Registry Number

  • 1329-04-0

System Generated Number

  • 0001329040

Structure Descriptors

InChI

1S/C20H17Cl3O5/c1-6-7(2)10-13(22)16(26-5)9(4)17-19(10)27-18-11(20(25)28-17)8(3)12(21)15(24)14(18)23/h6,24H,1-5H3/b7-6+

InChIKey

FSINAZMQWFDQSD-VOTSOKGWSA-N

Smiles

C/C=C(\C)/c1c2c(c(c(c1Cl)OC)C)OC(=O)c3c(c(c(c(c3O2)Cl)O)Cl)C