3-(1-adamantyl)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]benzoic acid

Systemtic Name: 3-(1-adamantyl)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]benzoic acid Openeye Name: 3-(1-adamantyl)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]benzoic acid CAS Name: 3-(1-adamantyl)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]benzoic acid IUPAC Name: 3-(1-adamantyl)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]benzoic acid Traditional Name: 3-(1-adamantyl)-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]benzoic acid Formula: C23H30O5 MolecularWeight: 386.4813

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)COC2=C(C=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1(OCC(O1)COC2=C(C=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C23H30O5/c1-22(2)27-13-18(28-22)12-26-20-4-3-17(21(24)25)8-19(20)23-9-14-5-15(10-23)7-16(6-14)11-23/h3-4,8,14-16,18H,5-7,9-13H2,1-2H3,(H,24,25)