CAS Registry Number®
1965305-31-0
Molecular Formula
C9H17NO2.C7H8O3SCite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1965305-31-0 (retrieved ) (CAS RN: 1965305-31-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C9H17NO2.C7H8O3S/c1-4-12-8(11)7-5-9(2,3)6-10-7;1-6-2-4-7(5-3-6)11(8,9)10/h7,10H,4-6H2,1-3H3;2-5H,1H3,(H,8,9,10)/t7-;/m0./s1
InChIKey
InChIKey=XIHCFWWDAGXFDM-FJXQXJEOSA-N
SMILES
C(OCC)(=O)[C@H]1NCC(C)(C)C1.S(=O)(=O)(O)C1=CC=C(C)C=C1
Canonical SMILES
O=C(OCC)C1NCC(C)(C)C1.O=S(=O)(O)C1=CC=C(C=C1)C
