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

Systemtic Name: 7-bromanyl-4-(5-methylfuran-2-yl)-3-(3-oxidanylidenebutyl)isochromen-1-one Openeye Name: 7-bromo-4-(5-methyl-2-furyl)-3-(3-oxobutyl)isochromen-1-one CAS Name: 7-bromo-4-(5-methyl-2-furanyl)-3-(3-oxobutyl)-2-benzopyran-1-one IUPAC Name: 7-bromo-4-(5-methylfuran-2-yl)-3-(3-oxobutyl)isochromen-1-one Traditional Name: 7-bromo-3-(3-ketobutyl)-4-(5-methyl-2-furyl)isocoumarin Formula: C18H15BrO4 MolecularWeight: 375.2133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C(OC(=O)C3=C2C=CC(=C3)Br)CCC(=O)C

Isomeric SMILES

CC1=CC=C(O1)C2=C(OC(=O)C3=C2C=CC(=C3)Br)CCC(=O)C

InChI

InChI=1S/C18H15BrO4/c1-10(20)3-7-16-17(15-8-4-11(2)22-15)13-6-5-12(19)9-14(13)18(21)23-16/h4-6,8-9H,3,7H2,1-2H3