4-butyl-6-chloranyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[2-oxo-2-(p-tolyl)ethoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[2-(4-methylphenyl)-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[2-(4-methylphenyl)-2-oxoethoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-[2-keto-2-(p-tolyl)ethoxy]coumarin Formula: C22H21ClO4 MolecularWeight: 384.85274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H21ClO4/c1-3-4-5-16-10-22(25)27-20-12-21(18(23)11-17(16)20)26-13-19(24)15-8-6-14(2)7-9-15/h6-12H,3-5,13H2,1-2H3