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2-[4-(6-methoxyhexoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate

2-[4-(6-methoxyhexoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate

Systemtic Name:2-[4-(6-methoxyhexoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate
Openeye Name:2-[4-(6-methoxyhexoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate
CAS Name:3-(1-adamantyl)benzoic acid 2-[4-(6-methoxyhexoxy)phenyl]ethynyl ester
IUPAC Name:2-[4-(6-methoxyhexoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate
Traditional Name:3-(1-adamantyl)benzoic acid 2-[4-(6-methoxyhexoxy)phenyl]ethynyl ester
Formula: C32H38O4
MolecularWeight: 486.64172
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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCOC1=CC=C(C=C1)C#COC(=O)C2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4


Isomeric SMILES

COCCCCCCOC1=CC=C(C=C1)C#COC(=O)C2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C32H38O4/c1-34-14-4-2-3-5-15-35-30-11-9-24(10-12-30)13-16-36-31(33)28-7-6-8-29(20-28)32-21-25-17-26(22-32)19-27(18-25)23-32/h6-12,20,25-27H,2-5,14-15,17-19,21-23H2,1H3


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