2-adamantyl 4-chloranylbenzoate

Systemtic Name: 2-adamantyl 4-chloranylbenzoate Openeye Name: 2-adamantyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-adamantyl ester Formula: C17H19ClO2 MolecularWeight: 290.78456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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