[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-methyl-3-oxidanyl-benzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C21H26O4/c1-12-3-4-17(8-18(12)22)20(24)25-13(2)19(23)21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,13-16,22H,5-7,9-11H2,1-2H3