Chemical Component Summary

Name3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one
Identifiers3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one
FormulaC17 H20 O4
Molecular Weight288.338
TypeNON-POLYMER
Isomeric SMILESC[C@H]1CCC[C@@H](C1)CC2=Cc3cc(cc(c3C(=O)O2)O)O
InChIInChI=1S/C17H20O4/c1-10-3-2-4-11(5-10)6-14-8-12-7-13(18)9-15(19)16(12)17(20)21-14/h7-11,18-19H,2-6H2,1H3/t10-,11-/m0/s1
InChIKeyJSPLICPLSKXJBM-QWRGUYRKSA-N

Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count2
Bond Count43
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 146018251