5-ethyl-6-methyl-3,4-dihydrochromen-2-one; 8-ethyl-7-methyl-3,4-dihydrochromen-2-one

Systemtic Name: 5-ethyl-6-methyl-3,4-dihydrochromen-2-one; 8-ethyl-7-methyl-3,4-dihydrochromen-2-one Openeye Name: 5-ethyl-6-methyl-chroman-2-one; 8-ethyl-7-methyl-chroman-2-one CAS Name: 5-ethyl-6-methyl-3,4-dihydro-2H-1-benzopyran-2-one; 8-ethyl-7-methyl-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: 5-ethyl-6-methyl-3,4-dihydrochromen-2-one; 8-ethyl-7-methyl-3,4-dihydrochromen-2-one Traditional Name: 5-ethyl-6-methyl-chroman-2-one; 8-ethyl-7-methyl-chroman-2-one Formula: C24H28O4 MolecularWeight: 380.47672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1CCC(=O)O2)C.CCC1=C(C=CC2=C1OC(=O)CC2)C

Isomeric SMILES

CCC1=C(C=CC2=C1CCC(=O)O2)C.CCC1=C(C=CC2=C1OC(=O)CC2)C

InChI

InChI=1S/2C12H14O2/c1-3-9-8(2)4-6-11-10(9)5-7-12(13)14-11;1-3-10-8(2)4-5-9-6-7-11(13)14-12(9)10/h4,6H,3,5,7H2,1-2H3;4-5H,3,6-7H2,1-2H3