methyl 4-[(E)-9-thiophen-2-ylnon-1-en-3,8-diynyl]benzoate

Systemtic Name: methyl 4-[(E)-9-thiophen-2-ylnon-1-en-3,8-diynyl]benzoate Openeye Name: methyl 4-[(E)-9-(2-thienyl)non-1-en-3,8-diynyl]benzoate CAS Name: 4-[(E)-9-thiophen-2-ylnon-1-en-3,8-diynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-9-thiophen-2-ylnon-1-en-3,8-diynyl]benzoate Traditional Name: 4-[(E)-9-(2-thienyl)non-1-en-3,8-diynyl]benzoic acid methyl ester Formula: C21H18O2S MolecularWeight: 334.43142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC#CCCCC#CC2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C#CCCCC#CC2=CC=CS2

InChI

InChI=1S/C21H18O2S/c1-23-21(22)19-15-13-18(14-16-19)10-7-5-3-2-4-6-8-11-20-12-9-17-24-20/h7,9-10,12-17H,2,4,6H2,1H3/b10-7+