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4-[3-(1-adamantyl)-4-prop-2-enoxy-phenyl]carbonyloxybenzoic acid

4-[3-(1-adamantyl)-4-prop-2-enoxy-phenyl]carbonyloxybenzoic acid

Systemtic Name:4-[3-(1-adamantyl)-4-prop-2-enoxy-phenyl]carbonyloxybenzoic acid
Openeye Name:4-[3-(1-adamantyl)-4-allyloxy-benzoyl]oxybenzoic acid
CAS Name:4-[[3-(1-adamantyl)-4-prop-2-enoxyphenyl]-oxomethoxy]benzoic acid
IUPAC Name:4-[3-(1-adamantyl)-4-prop-2-enoxybenzoyl]oxybenzoic acid
Traditional Name:4-[3-(1-adamantyl)-4-allyloxy-benzoyl]oxybenzoic acid
Formula: C27H28O5
MolecularWeight: 432.50822
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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4


Isomeric SMILES

C=CCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C27H28O5/c1-2-9-31-24-8-5-21(26(30)32-22-6-3-20(4-7-22)25(28)29)13-23(24)27-14-17-10-18(15-27)12-19(11-17)16-27/h2-8,13,17-19H,1,9-12,14-16H2,(H,28,29)


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