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2-(4-nonoxyphenyl)ethynyl 3-(1-adamantyl)benzoate

2-(4-nonoxyphenyl)ethynyl 3-(1-adamantyl)benzoate

Systemtic Name:2-(4-nonoxyphenyl)ethynyl 3-(1-adamantyl)benzoate
Openeye Name:2-(4-nonoxyphenyl)ethynyl 3-(1-adamantyl)benzoate
CAS Name:3-(1-adamantyl)benzoic acid 2-(4-nonoxyphenyl)ethynyl ester
IUPAC Name:2-(4-nonoxyphenyl)ethynyl 3-(1-adamantyl)benzoate
Traditional Name:3-(1-adamantyl)benzoic acid 2-(4-nonoxyphenyl)ethynyl ester
Formula: C34H42O3
MolecularWeight: 498.69548
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C#COC(=O)C2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4


Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C#COC(=O)C2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C34H42O3/c1-2-3-4-5-6-7-8-17-36-32-14-12-26(13-15-32)16-18-37-33(35)30-10-9-11-31(22-30)34-23-27-19-28(24-34)21-29(20-27)25-34/h9-15,22,27-29H,2-8,17,19-21,23-25H2,1H3


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