[4-[2-(4-methyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethyl]phenyl] 4-chloranylbenzoate

Systemtic Name: [4-[2-(4-methyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethyl]phenyl] 4-chloranylbenzoate Openeye Name: [4-[2-(4-hydroxy-4-methyl-6-oxo-tetrahydropyran-2-yl)ethyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[2-(4-hydroxy-4-methyl-6-oxo-2-oxanyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(4-hydroxy-4-methyl-6-oxooxan-2-yl)ethyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[2-(4-hydroxy-6-keto-4-methyl-tetrahydropyran-2-yl)ethyl]phenyl] ester Formula: C21H21ClO5 MolecularWeight: 388.84144

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC(=O)C1)CCC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC1(CC(OC(=O)C1)CCC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H21ClO5/c1-21(25)12-18(26-19(23)13-21)11-4-14-2-9-17(10-3-14)27-20(24)15-5-7-16(22)8-6-15/h2-3,5-10,18,25H,4,11-13H2,1H3