methyl 5-(1-adamantyl)-2,4-bis(oxidanyl)benzoate

Systemtic Name: methyl 5-(1-adamantyl)-2,4-bis(oxidanyl)benzoate Openeye Name: methyl 5-(1-adamantyl)-2,4-dihydroxy-benzoate CAS Name: 5-(1-adamantyl)-2,4-dihydroxybenzoic acid methyl ester IUPAC Name: methyl 5-(1-adamantyl)-2,4-dihydroxybenzoate Traditional Name: 5-(1-adamantyl)-2,4-dihydroxy-benzoic acid methyl ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1O)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1O)O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H22O4/c1-22-17(21)13-5-14(16(20)6-15(13)19)18-7-10-2-11(8-18)4-12(3-10)9-18/h5-6,10-12,19-20H,2-4,7-9H2,1H3