4-butyl-7-methyl-2-oxidanyl-6,7,8,8a-tetrahydrochromen-5-one

Systemtic Name: 4-butyl-7-methyl-2-oxidanyl-6,7,8,8a-tetrahydrochromen-5-one Openeye Name: 4-butyl-2-hydroxy-7-methyl-6,7,8,8a-tetrahydrochromen-5-one CAS Name: 4-butyl-2-hydroxy-7-methyl-6,7,8,8a-tetrahydro-1-benzopyran-5-one IUPAC Name: 4-butyl-2-hydroxy-7-methyl-6,7,8,8a-tetrahydrochromen-5-one Traditional Name: 4-butyl-2-hydroxy-7-methyl-6,7,8,8a-tetrahydrochromen-5-one Formula: C14H20O3 MolecularWeight: 236.3068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(CC(CC2=O)C)OC(=C1)O

Isomeric SMILES

CCCCC1=C2C(CC(CC2=O)C)OC(=C1)O

InChI

InChI=1S/C14H20O3/c1-3-4-5-10-8-13(16)17-12-7-9(2)6-11(15)14(10)12/h8-9,12,16H,3-7H2,1-2H3