Information from the InChI
There are no matching entries in the database for this IUPAC International Chemical Identifier. The following information was obtained from the identifier.
- Formula: C12H20O2·C6H10O4·C4H4O4
- Molecular weight: 458.4994
- IUPAC Standard InChI:
- InChI=1S/C12H20O2.C6H10O4.C4H4O4/c13-5-7-1-2-10-11-4-8(12(7)10)3-9(11)6-14;7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8/h7-14H,1-6H2;1-4H2,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8)/b;;2-1
- IUPAC Standard InChIKey: XTXBPQHKTJZZBR-FHBCMTCDSA-N
- Connectivity:
- 2-d Mol File from the identifier
- Canonical atom numbers:
Note: stereochemistry is currently not indicated in the items above. - Permanent link for this search. Use this link for bookmarking this species for future reference.
Contents of the identifier
Identifier version: 1
Main section
- Formula: C12H20O2.C6H10O4.C4H4O4
- Connectivity: 13-5-7-1-2-10-11-4-8(12(7)10)3-9(11)6-14;7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8
- Hydrogen: 7-14H,1-6H2;1-4H2,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8)
- Double bond stereo: ;;2-1