4-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]carbonyloxybenzoic acid

Systemtic Name: 4-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]carbonyloxybenzoic acid Openeye Name: 4-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoyl]oxybenzoic acid CAS Name: 4-[[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]-oxomethoxy]benzoic acid IUPAC Name: 4-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoyl]oxybenzoic acid Traditional Name: 4-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)benzoyl]oxybenzoic acid Formula: C28H32O7 MolecularWeight: 480.54948

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(OC)OCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H32O7/c1-17(32-2)33-16-34-25-8-5-22(27(31)35-23-6-3-21(4-7-23)26(29)30)12-24(25)28-13-18-9-19(14-28)11-20(10-18)15-28/h3-8,12,17-20H,9-11,13-16H2,1-2H3,(H,29,30)