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Home> Encyclopedia > Hot Product Listed 5   > 5,12-Naphthacenedione,8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[2-(2-oxiranyl)eth...
15960-81-3 structure

5,12-Naphthacenedione,8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[2-(2-oxiranyl)ethoxy]-

Iupac Name:bromomethylsulfanylmethylbenzene
CAS No.:15960-81-3
Molecular Weight:217.124
Molecular Formula:C5H7N3OS (isomer)
Names and Identifiers
Synonyms

5,12-naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-(2-oxiranylethoxy)-6,8,11-trihydroxy- 5,12-Naphthacenedione,8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-(2-oxiranylethoxy)-(9CI) 8-acetyl-6,8,11-trihydroxy-1-methoxy-10-[2-(oxiran-2-yl)ethoxy]-5,7,8,9,10,12-hexahydrotetracene-5,12-dione 9-acetyl-6,9,11-trihydroxy-4-methoxy-7-[2-(oxiran-2-yl)ethoxy]-8,10-dihydro-7h-tetracene-5,12-dione AC1MI5PN LS-94031 PL030399

Inchi
InChI=1S/C8H9BrS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChkey
PSTOVESVKXDXQX-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)CSCBr
Properties
Density
1.254
Boiling Point
560.5°Cat760mmHg
Flash Point
248.1°C
HS Code
2930909090
Computational chemical data
  • Molecular Weight:217.124g/mol
  • Molecular Formula:C5H7N3OS
  • Compound Is Canonicalized:True
  • Exact Mass:215.961
  • Monoisotopic Mass:215.961
  • Complexity:79.3
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:+49 721 95061-0
  • Fax:+49 721 95061-80
  • Tel:+44 1484 317 214
  • Fax:
  • Tel:888-329-8990
  • Fax:609 434 0143
  • Tel:+1-317 644 0862
  • Fax:+1-317 569 0858
  • Tel:+86-(21)-36030322
  • Fax:+86-(21)-66315383
 
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