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Substance Name: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, cis and trans mixture
ID: DF35093890
InChIKey: UMBAPIWARGTVLV-LYKKTTPLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-Cl-O4

Molecular Weight

  • 304.7277
 
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Names and Synonyms

Synonym

  • cis- and trans-6-Chloro-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid

Systematic Name

  • 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, cis and trans mixture

Registry Numbers

ID Number

  • NIOSH/DF3509389

System Generated Number

  • DF35093890

Structure Descriptors

InChI

1S/C16H13ClO4/c1-16(10-5-3-2-4-6-10)12-9-11(17)7-8-13(12)20-15(21-16)14(18)19/h2-9,15H,1H3,(H,18,19)/t15?,16-/m0/s1

InChIKey

UMBAPIWARGTVLV-LYKKTTPLSA-N

Smiles

C[C@]1(OC(Oc2ccc(Cl)cc12)C(=O)O)c3ccccc3