ethyl 2-(3-butyl-4-hex-1-ynyl-5-phenyl-phenyl)ethanoate

Systemtic Name: ethyl 2-(3-butyl-4-hex-1-ynyl-5-phenyl-phenyl)ethanoate Openeye Name: ethyl 2-(3-butyl-4-hex-1-ynyl-5-phenyl-phenyl)acetate CAS Name: 2-(3-butyl-4-hex-1-ynyl-5-phenylphenyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-butyl-4-hex-1-ynyl-5-phenylphenyl)acetate Traditional Name: 2-(3-butyl-4-hex-1-ynyl-5-phenyl-phenyl)acetic acid ethyl ester Formula: C26H32O2 MolecularWeight: 376.53108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=C(C=C1C2=CC=CC=C2)CC(=O)OCC)CCCC

Isomeric SMILES

CCCCC#CC1=C(C=C(C=C1C2=CC=CC=C2)CC(=O)OCC)CCCC

InChI

InChI=1S/C26H32O2/c1-4-7-9-13-17-24-23(14-8-5-2)18-21(20-26(27)28-6-3)19-25(24)22-15-11-10-12-16-22/h10-12,15-16,18-19H,4-9,14,20H2,1-3H3