methyl 4-(1-adamantyl)-3-oxidanyl-benzoate

Systemtic Name: methyl 4-(1-adamantyl)-3-oxidanyl-benzoate Openeye Name: methyl 4-(1-adamantyl)-3-hydroxy-benzoate CAS Name: 4-(1-adamantyl)-3-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-(1-adamantyl)-3-hydroxybenzoate Traditional Name: 4-(1-adamantyl)-3-hydroxy-benzoic acid methyl ester Formula: C18H22O3 MolecularWeight: 286.36548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O3/c1-21-17(20)14-2-3-15(16(19)7-14)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13,19H,4-6,8-10H2,1H3