4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-(hydroxymethyl)benzoic acid

Systemtic Name: 4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-(hydroxymethyl)benzoic acid Openeye Name: 4-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-3-(hydroxymethyl)benzoic acid CAS Name: 4-[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethoxy]-3-(hydroxymethyl)benzoic acid IUPAC Name: 4-[3-(1-adamantyl)-4-methoxybenzoyl]oxy-3-(hydroxymethyl)benzoic acid Traditional Name: 4-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-3-methylol-benzoic acid Formula: C26H28O6 MolecularWeight: 436.49692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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