4-[3-(4-chloranyl-3-methyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxybutanoate

Systemtic Name: 4-[3-(4-chloranyl-3-methyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxybutanoate Openeye Name: 4-[3-(4-chloro-3-methyl-phenoxy)-4-oxo-chromen-7-yl]oxybutanoate CAS Name: 4-[[3-(4-chloro-3-methylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]butanoate IUPAC Name: 4-[3-(4-chloro-3-methylphenoxy)-4-oxochromen-7-yl]oxybutanoate Traditional Name: 4-[3-(4-chloro-3-methyl-phenoxy)-4-keto-chromen-7-yl]oxybutyrate Formula: C20H16ClO6- MolecularWeight: 387.79044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCCCC(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCCCC(=O)[O-])Cl

InChI

InChI=1S/C20H17ClO6/c1-12-9-14(5-7-16(12)21)27-18-11-26-17-10-13(4-6-15(17)20(18)24)25-8-2-3-19(22)23/h4-7,9-11H,2-3,8H2,1H3,(H,22,23)/p-1