ethyl 2-butyl-3-hex-1-ynyl-6-phenyl-4-thiophen-2-yl-benzoate

Systemtic Name: ethyl 2-butyl-3-hex-1-ynyl-6-phenyl-4-thiophen-2-yl-benzoate Openeye Name: ethyl 2-butyl-3-hex-1-ynyl-6-phenyl-4-(2-thienyl)benzoate CAS Name: 2-butyl-3-hex-1-ynyl-6-phenyl-4-thiophen-2-ylbenzoic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-hex-1-ynyl-6-phenyl-4-thiophen-2-ylbenzoate Traditional Name: 2-butyl-3-hex-1-ynyl-6-phenyl-4-(2-thienyl)benzoic acid ethyl ester Formula: C29H32O2S MolecularWeight: 444.62818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C(=C(C=C1C2=CC=CS2)C3=CC=CC=C3)C(=O)OCC)CCCC

Isomeric SMILES

CCCCC#CC1=C(C(=C(C=C1C2=CC=CS2)C3=CC=CC=C3)C(=O)OCC)CCCC

InChI

InChI=1S/C29H32O2S/c1-4-7-9-13-18-23-24(17-8-5-2)28(29(30)31-6-3)25(22-15-11-10-12-16-22)21-26(23)27-19-14-20-32-27/h10-12,14-16,19-21H,4-9,17H2,1-3H3