3-(3-oxidanylidenebutyl)-2,3-dihydrochromen-4-one; propan-2-ylbenzene

Systemtic Name: 3-(3-oxidanylidenebutyl)-2,3-dihydrochromen-4-one; propan-2-ylbenzene Openeye Name: cumene; 3-(3-oxobutyl)chroman-4-one CAS Name: cumene; 3-(3-oxobutyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: cumene; 3-(3-oxobutyl)-2,3-dihydrochromen-4-one Traditional Name: cumene; 3-(3-ketobutyl)chroman-4-one Formula: C22H26O3 MolecularWeight: 338.44004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1.CC(=O)CCC1COC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)C1=CC=CC=C1.CC(=O)CCC1COC2=CC=CC=C2C1=O

InChI

InChI=1S/C13H14O3.C9H12/c1-9(14)6-7-10-8-16-12-5-3-2-4-11(12)13(10)15;1-8(2)9-6-4-3-5-7-9/h2-5,10H,6-8H2,1H3;3-8H,1-2H3