methyl 2-[3,5-bis(oxidanylidene)heptan-4-yl]-6-oxidanyl-3-(phenylcarbonyloxy)benzoate

Systemtic Name: methyl 2-[3,5-bis(oxidanylidene)heptan-4-yl]-6-oxidanyl-3-(phenylcarbonyloxy)benzoate Openeye Name: methyl 3-benzoyloxy-6-hydroxy-2-(2-oxo-1-propanoyl-butyl)benzoate CAS Name: 3-benzoyloxy-2-(3,5-dioxoheptan-4-yl)-6-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-benzoyloxy-2-(3,5-dioxoheptan-4-yl)-6-hydroxybenzoate Traditional Name: 3-benzoyloxy-6-hydroxy-2-(2-keto-1-propionyl-butyl)benzoic acid methyl ester Formula: C22H22O7 MolecularWeight: 398.40588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1=C(C=CC(=C1C(=O)OC)O)OC(=O)C2=CC=CC=C2)C(=O)CC

Isomeric SMILES

CCC(=O)C(C1=C(C=CC(=C1C(=O)OC)O)OC(=O)C2=CC=CC=C2)C(=O)CC

InChI

InChI=1S/C22H22O7/c1-4-14(23)18(15(24)5-2)20-17(12-11-16(25)19(20)22(27)28-3)29-21(26)13-9-7-6-8-10-13/h6-12,18,25H,4-5H2,1-3H3