3-(1-adamantyl)-4-[2-(4-methoxyphenyl)-2-oxidanylidene-ethoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 3-(1-adamantyl)-4-[2-(4-methoxyphenyl)-2-oxidanylidene-ethoxy]-2-oxidanyl-benzoic acid Openeye Name: 3-(1-adamantyl)-2-hydroxy-4-[2-(4-methoxyphenyl)-2-oxo-ethoxy]benzoic acid CAS Name: 3-(1-adamantyl)-2-hydroxy-4-[2-(4-methoxyphenyl)-2-oxoethoxy]benzoic acid IUPAC Name: 3-(1-adamantyl)-2-hydroxy-4-[2-(4-methoxyphenyl)-2-oxoethoxy]benzoic acid Traditional Name: 3-(1-adamantyl)-2-hydroxy-4-[2-keto-2-(4-methoxyphenyl)ethoxy]benzoic acid Formula: C26H28O6 MolecularWeight: 436.49692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)COC2=C(C(=C(C=C2)C(=O)O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)COC2=C(C(=C(C=C2)C(=O)O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H28O6/c1-31-19-4-2-18(3-5-19)21(27)14-32-22-7-6-20(25(29)30)24(28)23(22)26-11-15-8-16(12-26)10-17(9-15)13-26/h2-7,15-17,28H,8-14H2,1H3,(H,29,30)