methyl 3-[3-(1-adamantyl)-3-oxidanylidene-propanoyl]-4-oxidanyl-benzoate

Systemtic Name: methyl 3-[3-(1-adamantyl)-3-oxidanylidene-propanoyl]-4-oxidanyl-benzoate Openeye Name: methyl 3-[3-(1-adamantyl)-3-oxo-propanoyl]-4-hydroxy-benzoate CAS Name: 3-[3-(1-adamantyl)-1,3-dioxopropyl]-4-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-[3-(1-adamantyl)-3-oxopropanoyl]-4-hydroxybenzoate Traditional Name: 3-[3-(1-adamantyl)-3-keto-propanoyl]-4-hydroxy-benzoic acid methyl ester Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)O)C(=O)CC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)O)C(=O)CC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H24O5/c1-26-20(25)15-2-3-17(22)16(7-15)18(23)8-19(24)21-9-12-4-13(10-21)6-14(5-12)11-21/h2-3,7,12-14,22H,4-6,8-11H2,1H3