4-propyl-1,5,6,7,8,8a-hexahydroisochromen-3-one

Systemtic Name: 4-propyl-1,5,6,7,8,8a-hexahydroisochromen-3-one Openeye Name: 4-propyl-1,5,6,7,8,8a-hexahydroisochromen-3-one CAS Name: 4-propyl-1,5,6,7,8,8a-hexahydro-2-benzopyran-3-one IUPAC Name: 4-propyl-1,5,6,7,8,8a-hexahydroisochromen-3-one Traditional Name: 4-propyl-1,5,6,7,8,8a-hexahydroisochromen-3-one Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCC2COC1=O

Isomeric SMILES

CCCC1=C2CCCCC2COC1=O

InChI

InChI=1S/C12H18O2/c1-2-5-11-10-7-4-3-6-9(10)8-14-12(11)13/h9H,2-8H2,1H3