Cnidilide

CAS Registry Number®

3674-03-1

CAS Name

Cnidilide

Molecular Formula

C12H18O2

Molecular Mass

194.27

Cite this Page

Cnidilide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3674-03-1 (retrieved 2024-11-24) (CAS RN: 3674-03-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,9-11H,2-4,6,8H2,1H3/t9-,10+,11-/m0/s1

InChIKey

InChIKey=UXDIXFDKSPCUIX-AXFHLTTASA-N

SMILES

C(CCC)[C@H]1[C@@]2([C@](C(=O)O1)(C=CCC2)[H])[H]

Canonical SMILES

O=C1OC(CCCC)C2CCC=CC12

Other Names for this Substance

  • 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,7a-tetrahydro-, (3S,3aS,7aR)-
  • Phthalide, 3-butyl-3a,4,5,7a-tetrahydro-
  • Cnidilide
  • 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,7a-tetrahydro-, [3S-(3α,3aβ,7aβ)]-
  • (3S,3aS,7aR)-3-Butyl-3a,4,5,7a-tetrahydro-1(3H)-isobenzofuranone

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