4-(5-methylfuran-2-yl)-3-(3-oxidanylidenebutyl)isochromen-1-one

Systemtic Name: 4-(5-methylfuran-2-yl)-3-(3-oxidanylidenebutyl)isochromen-1-one Openeye Name: 4-(5-methyl-2-furyl)-3-(3-oxobutyl)isochromen-1-one CAS Name: 4-(5-methyl-2-furanyl)-3-(3-oxobutyl)-2-benzopyran-1-one IUPAC Name: 4-(5-methylfuran-2-yl)-3-(3-oxobutyl)isochromen-1-one Traditional Name: 3-(3-ketobutyl)-4-(5-methyl-2-furyl)isocoumarin Formula: C18H16O4 MolecularWeight: 296.31724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C(OC(=O)C3=CC=CC=C32)CCC(=O)C

Isomeric SMILES

CC1=CC=C(O1)C2=C(OC(=O)C3=CC=CC=C32)CCC(=O)C

InChI

InChI=1S/C18H16O4/c1-11(19)7-9-16-17(15-10-8-12(2)21-15)13-5-3-4-6-14(13)18(20)22-16/h3-6,8,10H,7,9H2,1-2H3