3-(1-adamantyl)-4-(4-methoxyphenyl)carbonyloxy-2-oxidanyl-benzoic acid

Systemtic Name: 3-(1-adamantyl)-4-(4-methoxyphenyl)carbonyloxy-2-oxidanyl-benzoic acid Openeye Name: 3-(1-adamantyl)-2-hydroxy-4-(4-methoxybenzoyl)oxy-benzoic acid CAS Name: 3-(1-adamantyl)-2-hydroxy-4-[(4-methoxyphenyl)-oxomethoxy]benzoic acid IUPAC Name: 3-(1-adamantyl)-2-hydroxy-4-(4-methoxybenzoyl)oxybenzoic acid Traditional Name: 3-(1-adamantyl)-2-hydroxy-4-p-anisoyloxy-benzoic acid Formula: C25H26O6 MolecularWeight: 422.47034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C(=O)O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C(=O)O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H26O6/c1-30-18-4-2-17(3-5-18)24(29)31-20-7-6-19(23(27)28)22(26)21(20)25-11-14-8-15(12-25)10-16(9-14)13-25/h2-7,14-16,26H,8-13H2,1H3,(H,27,28)