[7-(4-chloranylbutoxy)-2-methyl-4-oxidanylidene-3-phenyl-chromen-5-yl] ethanoate

Systemtic Name: [7-(4-chloranylbutoxy)-2-methyl-4-oxidanylidene-3-phenyl-chromen-5-yl] ethanoate Openeye Name: [7-(4-chlorobutoxy)-2-methyl-4-oxo-3-phenyl-chromen-5-yl] acetate CAS Name: acetic acid [7-(4-chlorobutoxy)-2-methyl-4-oxo-3-phenyl-1-benzopyran-5-yl] ester IUPAC Name: [7-(4-chlorobutoxy)-2-methyl-4-oxo-3-phenylchromen-5-yl] acetate Traditional Name: acetic acid [7-(4-chlorobutoxy)-4-keto-2-methyl-3-phenyl-chromen-5-yl] ester Formula: C22H21ClO5 MolecularWeight: 400.85214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C=C(C=C2O1)OCCCCCl)OC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C2=C(C=C(C=C2O1)OCCCCCl)OC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C22H21ClO5/c1-14-20(16-8-4-3-5-9-16)22(25)21-18(27-14)12-17(26-11-7-6-10-23)13-19(21)28-15(2)24/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3