[6-chloranyl-2-(2-methylphenyl)carbonyl-3-oxidanyl-oxan-4-yl] 2-methylbenzoate

Systemtic Name: [6-chloranyl-2-(2-methylphenyl)carbonyl-3-oxidanyl-oxan-4-yl] 2-methylbenzoate Openeye Name: [6-chloro-3-hydroxy-2-(2-methylbenzoyl)tetrahydropyran-4-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [6-chloro-3-hydroxy-2-[(2-methylphenyl)-oxomethyl]-4-oxanyl] ester IUPAC Name: [6-chloro-3-hydroxy-2-(2-methylbenzoyl)oxan-4-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid (6-chloro-3-hydroxy-2-o-toluoyl-tetrahydropyran-4-yl) ester Formula: C21H21ClO5 MolecularWeight: 388.84144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2C(C(CC(O2)Cl)OC(=O)C3=CC=CC=C3C)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2C(C(CC(O2)Cl)OC(=O)C3=CC=CC=C3C)O

InChI

InChI=1S/C21H21ClO5/c1-12-7-3-5-9-14(12)18(23)20-19(24)16(11-17(22)27-20)26-21(25)15-10-6-4-8-13(15)2/h3-10,16-17,19-20,24H,11H2,1-2H3