1-adamantyl 2-chloranyl-3-oxidanylidene-1H-indene-2-carboxylate

Systemtic Name: 1-adamantyl 2-chloranyl-3-oxidanylidene-1H-indene-2-carboxylate Openeye Name: 1-adamantyl 2-chloro-1-oxo-indane-2-carboxylate CAS Name: 2-chloro-3-oxo-1H-indene-2-carboxylic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-chloro-3-oxo-1H-indene-2-carboxylate Traditional Name: 2-chloro-1-keto-indane-2-carboxylic acid 1-adamantyl ester Formula: C20H21ClO3 MolecularWeight: 344.83194

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C4(CC5=CC=CC=C5C4=O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)C4(CC5=CC=CC=C5C4=O)Cl

InChI

InChI=1S/C20H21ClO3/c21-20(11-15-3-1-2-4-16(15)17(20)22)18(23)24-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2