chromen-2-one; (5-methyl-2-oxidanylidene-8-prop-2-enyl-chromen-7-yl) ethanoate

Systemtic Name: chromen-2-one; (5-methyl-2-oxidanylidene-8-prop-2-enyl-chromen-7-yl) ethanoate Openeye Name: (8-allyl-5-methyl-2-oxo-chromen-7-yl) acetate; chromen-2-one CAS Name: acetic acid (5-methyl-2-oxo-8-prop-2-enyl-1-benzopyran-7-yl) ester; 1-benzopyran-2-one IUPAC Name: chromen-2-one; (5-methyl-2-oxo-8-prop-2-enylchromen-7-yl) acetate Traditional Name: acetic acid (8-allyl-2-keto-5-methyl-chromen-7-yl) ester; coumarin Formula: C24H20O6 MolecularWeight: 404.412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C=CC(=O)O2)CC=C)OC(=O)C.C1=CC=C2C(=C1)C=CC(=O)O2

Isomeric SMILES

CC1=CC(=C(C2=C1C=CC(=O)O2)CC=C)OC(=O)C.C1=CC=C2C(=C1)C=CC(=O)O2

InChI

InChI=1S/C15H14O4.C9H6O2/c1-4-5-12-13(18-10(3)16)8-9(2)11-6-7-14(17)19-15(11)12;10-9-6-5-7-3-1-2-4-8(7)11-9/h4,6-8H,1,5H2,2-3H3;1-6H