4,7-dimethyl-5-(2-oxidanylidenepropoxy)-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4,7-dimethyl-5-(2-oxidanylidenepropoxy)-3-(phenylmethyl)chromen-2-one Openeye Name: 5-acetonyloxy-3-benzyl-4,7-dimethyl-chromen-2-one CAS Name: 4,7-dimethyl-5-(2-oxopropoxy)-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4,7-dimethyl-5-(2-oxopropoxy)chromen-2-one Traditional Name: 5-acetonyloxy-3-benzyl-4,7-dimethyl-coumarin Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)C

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)C

InChI

InChI=1S/C21H20O4/c1-13-9-18(24-12-14(2)22)20-15(3)17(21(23)25-19(20)10-13)11-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3