ethyl 2-butyl-3-hex-1-ynyl-4,6-diphenyl-benzoate

Systemtic Name: ethyl 2-butyl-3-hex-1-ynyl-4,6-diphenyl-benzoate Openeye Name: ethyl 2-butyl-3-hex-1-ynyl-4,6-diphenyl-benzoate CAS Name: 2-butyl-3-hex-1-ynyl-4,6-diphenylbenzoic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-hex-1-ynyl-4,6-diphenylbenzoate Traditional Name: 2-butyl-3-hex-1-ynyl-4,6-diphenyl-benzoic acid ethyl ester Formula: C31H34O2 MolecularWeight: 438.60046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C(=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC)CCCC

Isomeric SMILES

CCCCC#CC1=C(C(=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC)CCCC

InChI

InChI=1S/C31H34O2/c1-4-7-9-16-22-26-27(21-8-5-2)30(31(32)33-6-3)29(25-19-14-11-15-20-25)23-28(26)24-17-12-10-13-18-24/h10-15,17-20,23H,4-9,21H2,1-3H3