Isobutyryl alkannin
CAS Registry Number®
87562-78-5
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CAS Name
Isobutyryl alkanninMolecular Formula
C20H22O6Molecular Mass
358.39Cite this Page
Isobutyryl alkannin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=87562-78-5 (retrieved ) (CAS RN: 87562-78-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H22O6/c1-10(2)5-8-16(26-20(25)11(3)4)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h5-7,9,11,16,21-22H,8H2,1-4H3/t16-/m0/s1
InChIKey
InChIKey=BVRYLTBIGIAADD-INIZCTEOSA-N
SMILES
O=C1C=2C(C(=O)C=C1[C@@H](OC(C(C)C)=O)CC=C(C)C)=C(O)C=CC2O
Canonical SMILES
O=C1C=C(C(=O)C=2C(O)=CC=C(O)C12)C(OC(=O)C(C)C)CC=C(C)C
Other Names for this Substance
- Propanoic acid, 2-methyl-, (1S)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-yl ester
- Propanoic acid, 2-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (S)-
- Isobutyryl alkannin