1-adamantyl 4-chloranylbenzoate

Systemtic Name: 1-adamantyl 4-chloranylbenzoate Openeye Name: 1-adamantyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 1-adamantyl ester Formula: C17H19ClO2 MolecularWeight: 290.78456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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