2-(4-hexoxyphenyl)ethynyl 5-(1-adamantyl)-2-hexoxy-benzoate

Systemtic Name: 2-(4-hexoxyphenyl)ethynyl 5-(1-adamantyl)-2-hexoxy-benzoate Openeye Name: 2-(4-hexoxyphenyl)ethynyl 5-(1-adamantyl)-2-hexoxy-benzoate CAS Name: 5-(1-adamantyl)-2-hexoxybenzoic acid 2-(4-hexoxyphenyl)ethynyl ester IUPAC Name: 2-(4-hexoxyphenyl)ethynyl 5-(1-adamantyl)-2-hexoxybenzoate Traditional Name: 5-(1-adamantyl)-2-hexoxy-benzoic acid 2-(4-hexoxyphenyl)ethynyl ester Formula: C37H48O4 MolecularWeight: 556.77462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C#COC(=O)C2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)OCCCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C#COC(=O)C2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)OCCCCCC

InChI

InChI=1S/C37H48O4/c1-3-5-7-9-18-39-33-14-11-28(12-15-33)17-20-41-36(38)34-24-32(13-16-35(34)40-19-10-8-6-4-2)37-25-29-21-30(26-37)23-31(22-29)27-37/h11-16,24,29-31H,3-10,18-19,21-23,25-27H2,1-2H3