4-butyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 4-butyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 4-butyl-7-[2-oxo-2-(p-tolyl)ethoxy]chromen-2-one CAS Name: 4-butyl-7-[2-(4-methylphenyl)-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[2-(4-methylphenyl)-2-oxoethoxy]chromen-2-one Traditional Name: 4-butyl-7-[2-keto-2-(p-tolyl)ethoxy]coumarin Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H22O4/c1-3-4-5-17-12-22(24)26-21-13-18(10-11-19(17)21)25-14-20(23)16-8-6-15(2)7-9-16/h6-13H,3-5,14H2,1-2H3