3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoic acid

Systemtic Name: 3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoic acid Openeye Name: 3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoic acid CAS Name: 3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoic acid IUPAC Name: 3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoic acid Traditional Name: 3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoic acid Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C(C=C1)C(=O)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(OC)OCOC1=C(C=C(C=C1)C(=O)O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28O5/c1-13(24-2)25-12-26-19-4-3-17(20(22)23)8-18(19)21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,13-16H,5-7,9-12H2,1-2H3,(H,22,23)