[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranylbenzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranylbenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C19H21ClO3 MolecularWeight: 332.82124

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H21ClO3/c20-16-3-1-15(2-4-16)18(22)23-11-17(21)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2