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

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

Systemtic Name:4-[3-(1-adamantyl)-4-butyl-phenyl]carbonyloxybenzoic acid
Openeye Name:4-[3-(1-adamantyl)-4-butyl-benzoyl]oxybenzoic acid
CAS Name:4-[[3-(1-adamantyl)-4-butylphenyl]-oxomethoxy]benzoic acid
IUPAC Name:4-[3-(1-adamantyl)-4-butylbenzoyl]oxybenzoic acid
Traditional Name:4-[3-(1-adamantyl)-4-butyl-benzoyl]oxybenzoic acid
Formula: C28H32O4
MolecularWeight: 432.55128
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4


Isomeric SMILES

CCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C28H32O4/c1-2-3-4-21-5-6-23(27(31)32-24-9-7-22(8-10-24)26(29)30)14-25(21)28-15-18-11-19(16-28)13-20(12-18)17-28/h5-10,14,18-20H,2-4,11-13,15-17H2,1H3,(H,29,30)


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