[(5S,7R)-1-chloranyl-2-adamantyl] benzoate

Systemtic Name: [(5S,7R)-1-chloranyl-2-adamantyl] benzoate Openeye Name: [(5S,7R)-1-chloro-2-adamantyl] benzoate CAS Name: benzoic acid [(5S,7R)-1-chloro-2-adamantyl] ester IUPAC Name: [(5S,7R)-1-chloro-2-adamantyl] benzoate Traditional Name: benzoic acid [(5S,7R)-1-chloro-2-adamantyl] ester Formula: C17H19ClO2 MolecularWeight: 290.78456

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3OC(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C1[C@@H]2CC3C[C@H]1CC(C2)(C3OC(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C17H19ClO2/c18-17-9-11-6-12(10-17)8-14(7-11)15(17)20-16(19)13-4-2-1-3-5-13/h1-5,11-12,14-15H,6-10H2/t11-,12+,14?,15?,17?