D-arabino-Hexononitrile, 2,5-anhydro-3-deoxy-, 4,6-dibenzoate

CAS Registry Number®

127676-66-8
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CAS Name

D-arabino-Hexononitrile, 2,5-anhydro-3-deoxy-, 4,6-dibenzoate

Molecular Formula

C20H17NO5

Molecular Mass

351.35

Cite this Page

D-arabino-Hexononitrile, 2,5-anhydro-3-deoxy-, 4,6-dibenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=127676-66-8 (retrieved 2024-08-10) (CAS RN: 127676-66-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H17NO5/c21-12-16-11-17(26-20(23)15-9-5-2-6-10-15)18(25-16)13-24-19(22)14-7-3-1-4-8-14/h1-10,16-18H,11,13H2/t16-,17-,18+/m0/s1

InChIKey

InChIKey=SNYLJLLCAXQRJF-OKZBNKHCSA-N

SMILES

O(C(=O)C1=CC=CC=C1)[C@@H]2[C@@H](COC(=O)C3=CC=CC=C3)O[C@H](C#N)C2

Canonical SMILES

N#CC1OC(COC(=O)C=2C=CC=CC2)C(OC(=O)C=3C=CC=CC3)C1

Other Names for this Substance

  • D-arabino-Hexononitrile, 2,5-anhydro-3-deoxy-, 4,6-dibenzoate