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Substance Name: Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-
RN: 101859-04-5
InChIKey: TWDSQINFZCXWJJ-IUHNQTRMSA-N

Molecular Formula

  • C19-H22-Cl2-O5

Molecular Weight

  • 401.284
 
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Names and Synonyms

  • Benzoic acid, 2,4-dichloro-, (3-(formyloxy)decahydro-1-benzoxepin-2-yl)methyl ester, (2alpha,3beta,5abeta,9aalpha)-

Registry Numbers

CAS Registry Number

  • 101859-04-5

System Generated Number

  • 0101859045

Structure Descriptors

InChI

1S/C19H22Cl2O5/c20-13-6-7-14(15(21)9-13)19(23)24-10-18-17(25-11-22)8-5-12-3-1-2-4-16(12)26-18/h6-7,9,11-12,16-18H,1-5,8,10H2/t12-,16+,17-,18+/m1/s1

InChIKey

TWDSQINFZCXWJJ-IUHNQTRMSA-N

Smiles

C(c1c(cc(cc1)Cl)Cl)(=O)OC[C@@H]1O[C@@H]2[C@@H](CC[C@H]1OC=O)CCCC2