6-chloranyl-4-methyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]-3-(2-oxidanylpropyl)chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]-3-(2-oxidanylpropyl)chromen-2-one Openeye Name: 6-chloro-3-(2-hydroxypropyl)-4-methyl-7-[2-oxo-2-(p-tolyl)ethoxy]chromen-2-one CAS Name: 6-chloro-3-(2-hydroxypropyl)-4-methyl-7-[2-(4-methylphenyl)-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 6-chloro-3-(2-hydroxypropyl)-4-methyl-7-[2-(4-methylphenyl)-2-oxoethoxy]chromen-2-one Traditional Name: 6-chloro-3-(2-hydroxypropyl)-7-[2-keto-2-(p-tolyl)ethoxy]-4-methyl-coumarin Formula: C22H21ClO5 MolecularWeight: 400.85214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC2=C(C=C3C(=C(C(=O)OC3=C2)CC(C)O)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC2=C(C=C3C(=C(C(=O)OC3=C2)CC(C)O)C)Cl

InChI

InChI=1S/C22H21ClO5/c1-12-4-6-15(7-5-12)19(25)11-27-21-10-20-16(9-18(21)23)14(3)17(8-13(2)24)22(26)28-20/h4-7,9-10,13,24H,8,11H2,1-3H3