2-[2-(3-chlorophenyl)-2-adamantyl]ethanoic acid

Systemtic Name: 2-[2-(3-chlorophenyl)-2-adamantyl]ethanoic acid Openeye Name: 2-[2-(3-chlorophenyl)-2-adamantyl]acetic acid CAS Name: 2-[2-(3-chlorophenyl)-2-adamantyl]acetic acid IUPAC Name: 2-[2-(3-chlorophenyl)-2-adamantyl]acetic acid Traditional Name: 2-[2-(3-chlorophenyl)-2-adamantyl]acetic acid Formula: C18H21ClO2 MolecularWeight: 304.81114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClO2/c19-16-3-1-2-13(9-16)18(10-17(20)21)14-5-11-4-12(7-14)8-15(18)6-11/h1-3,9,11-12,14-15H,4-8,10H2,(H,20,21)