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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H28O5/c1-13(24-2)25-12-26-19-8-17(20(22)23)3-4-18(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)


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