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2-[4-(3-oxidanylpropoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate

2-[4-(3-oxidanylpropoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate

Systemtic Name:2-[4-(3-oxidanylpropoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate
Openeye Name:2-[4-(3-hydroxypropoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate
CAS Name:3-(1-adamantyl)benzoic acid 2-[4-(3-hydroxypropoxy)phenyl]ethynyl ester
IUPAC Name:2-[4-(3-hydroxypropoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate
Traditional Name:3-(1-adamantyl)benzoic acid 2-[4-(3-hydroxypropoxy)phenyl]ethynyl ester
Formula: C28H30O4
MolecularWeight: 430.5354
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=CC(=C4)C(=O)OC#CC5=CC=C(C=C5)OCCCO


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=CC(=C4)C(=O)OC#CC5=CC=C(C=C5)OCCCO


InChI

InChI=1S/C28H30O4/c29-10-2-11-31-26-7-5-20(6-8-26)9-12-32-27(30)24-3-1-4-25(16-24)28-17-21-13-22(18-28)15-23(14-21)19-28/h1,3-8,16,21-23,29H,2,10-11,13-15,17-19H2


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