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

Systemtic Name: 4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-methyl-benzoic acid Openeye Name: 4-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-3-methyl-benzoic acid CAS Name: 4-[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethoxy]-3-methylbenzoic acid IUPAC Name: 4-[3-(1-adamantyl)-4-methoxybenzoyl]oxy-3-methylbenzoic acid Traditional Name: 4-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-3-methyl-benzoic acid Formula: C26H28O5 MolecularWeight: 420.49752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)OC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)OC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H28O5/c1-15-7-19(24(27)28)3-5-22(15)31-25(29)20-4-6-23(30-2)21(11-20)26-12-16-8-17(13-26)10-18(9-16)14-26/h3-7,11,16-18H,8-10,12-14H2,1-2H3,(H,27,28)