5-(2-adamantyl)-2-methyl-furan-3-carboxylate

Systemtic Name: 5-(2-adamantyl)-2-methyl-furan-3-carboxylate Openeye Name: 5-(2-adamantyl)-2-methyl-furan-3-carboxylate CAS Name: 5-(2-adamantyl)-2-methyl-3-furancarboxylate IUPAC Name: 5-(2-adamantyl)-2-methylfuran-3-carboxylate Traditional Name: 5-(2-adamantyl)-2-methyl-3-furoate Formula: C16H19O3- MolecularWeight: 259.32026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2C3CC4CC(C3)CC2C4)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(O1)C2C3CC4CC(C3)CC2C4)C(=O)[O-]

InChI

InChI=1S/C16H20O3/c1-8-13(16(17)18)7-14(19-8)15-11-3-9-2-10(5-11)6-12(15)4-9/h7,9-12,15H,2-6H2,1H3,(H,17,18)/p-1