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4-[4-acetyloxy-3-(1-adamantyl)phenyl]carbonyloxybenzoic acid

4-[4-acetyloxy-3-(1-adamantyl)phenyl]carbonyloxybenzoic acid

Systemtic Name:4-[4-acetyloxy-3-(1-adamantyl)phenyl]carbonyloxybenzoic acid
Openeye Name:4-[4-acetoxy-3-(1-adamantyl)benzoyl]oxybenzoic acid
CAS Name:4-[[4-acetyloxy-3-(1-adamantyl)phenyl]-oxomethoxy]benzoic acid
IUPAC Name:4-[4-acetyloxy-3-(1-adamantyl)benzoyl]oxybenzoic acid
Traditional Name:4-[4-acetoxy-3-(1-adamantyl)benzoyl]oxybenzoic acid
Formula: C26H26O6
MolecularWeight: 434.48104
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4


Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C26H26O6/c1-15(27)31-23-7-4-20(25(30)32-21-5-2-19(3-6-21)24(28)29)11-22(23)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,28,29)


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