2-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-(hydroxymethyl)benzoic acid

Systemtic Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-(hydroxymethyl)benzoic acid Openeye Name: 2-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-3-(hydroxymethyl)benzoic acid CAS Name: 2-[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethoxy]-3-(hydroxymethyl)benzoic acid IUPAC Name: 2-[3-(1-adamantyl)-4-methoxybenzoyl]oxy-3-(hydroxymethyl)benzoic acid Traditional Name: 2-[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=CC=C2CO)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=CC=C2CO)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

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