4-[4-(4-chloranyl-3,5-dimethyl-phenoxy)but-2-ynoxy]-6-methyl-chromen-2-one

Systemtic Name: 4-[4-(4-chloranyl-3,5-dimethyl-phenoxy)but-2-ynoxy]-6-methyl-chromen-2-one Openeye Name: 4-[4-(4-chloro-3,5-dimethyl-phenoxy)but-2-ynoxy]-6-methyl-chromen-2-one CAS Name: 4-[4-(4-chloro-3,5-dimethylphenoxy)but-2-ynoxy]-6-methyl-1-benzopyran-2-one IUPAC Name: 4-[4-(4-chloro-3,5-dimethylphenoxy)but-2-ynoxy]-6-methylchromen-2-one Traditional Name: 4-[4-(4-chloro-3,5-dimethyl-phenoxy)but-2-ynoxy]-6-methyl-coumarin Formula: C22H19ClO4 MolecularWeight: 382.83686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C=C2OCC#CCOC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2OCC#CCOC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C22H19ClO4/c1-14-6-7-19-18(10-14)20(13-21(24)27-19)26-9-5-4-8-25-17-11-15(2)22(23)16(3)12-17/h6-7,10-13H,8-9H2,1-3H3