7-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethoxy]-6-chloranyl-4-methyl-chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H21ClO4/c1-13-9-21(25)27-19-11-20(17(23)10-16(13)19)26-12-18(24)14-5-7-15(8-6-14)22(2,3)4/h5-11H,12H2,1-4H3