3-butyl-4-methyl-3,5,6,7,8,8a-hexahydrochromen-2-one

Systemtic Name: 3-butyl-4-methyl-3,5,6,7,8,8a-hexahydrochromen-2-one Openeye Name: 3-butyl-4-methyl-3,5,6,7,8,8a-hexahydrochromen-2-one CAS Name: 3-butyl-4-methyl-3,5,6,7,8,8a-hexahydro-1-benzopyran-2-one IUPAC Name: 3-butyl-4-methyl-3,5,6,7,8,8a-hexahydrochromen-2-one Traditional Name: 3-butyl-4-methyl-3,5,6,7,8,8a-hexahydrochromen-2-one Formula: C14H22O2 MolecularWeight: 222.32328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=C2CCCCC2OC1=O)C

Isomeric SMILES

CCCCC1C(=C2CCCCC2OC1=O)C

InChI

InChI=1S/C14H22O2/c1-3-4-7-12-10(2)11-8-5-6-9-13(11)16-14(12)15/h12-13H,3-9H2,1-2H3