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Substance Name: Benz(a)anthracene-7-methanol, hydrogen sulfate, sodium salt
RN: 105708-80-3
InChIKey: CGKONRUASVZCPC-UHFFFAOYSA-L

Classification Code

  • Mutation Data

Molecular Formula

  • C19-H14-O4-S.Na

Molecular Weight

  • 658.679
 
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Names and Synonyms

Synonyms

  • 7-Hydroxymethylbenz(a)anthracene sodium sulphate
  • CCRIS 2796

Systematic Name

  • Benz(a)anthracene-7-methanol, hydrogen sulfate, sodium salt

Registry Numbers

CAS Registry Number

  • 105708-80-3

Related Registry Number

  • 87976-77-0 (Parent)

System Generated Number

  • 0105708803

Molecular Formulas

Molecular Formula

  • C19-H14-O4-S.Na

Molecular Formula Fragments

  • C19-H14-O4-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/2C19H14O.2Na.H2O4S/c2*20-12-19-16-8-4-2-6-14(16)11-18-15-7-3-1-5-13(15)9-10-17(18)19;;;1-5(2,3)4/h2*1-11,20H,12H2;;;(H2,1,2,3,4)/q;;2*+1;/p-2

InChIKey

CGKONRUASVZCPC-UHFFFAOYSA-L

Smiles

[Na+].c12c(ccc3c(CO)c4ccccc4cc13)cccc2.[Na+].c12c(ccc3c(c4ccccc4cc13)CO)cccc2.S(=O)(=O)([O-])[O-]