methyl 4-[(E)-9-(5-methoxythiophen-2-yl)non-1-en-3,8-diynyl]benzoate

Systemtic Name: methyl 4-[(E)-9-(5-methoxythiophen-2-yl)non-1-en-3,8-diynyl]benzoate Openeye Name: methyl 4-[(E)-9-(5-methoxy-2-thienyl)non-1-en-3,8-diynyl]benzoate CAS Name: 4-[(E)-9-(5-methoxy-2-thiophenyl)non-1-en-3,8-diynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-9-(5-methoxythiophen-2-yl)non-1-en-3,8-diynyl]benzoate Traditional Name: 4-[(E)-9-(5-methoxy-2-thienyl)non-1-en-3,8-diynyl]benzoic acid methyl ester Formula: C22H20O3S MolecularWeight: 364.4574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(S1)C#CCCCC#CC=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=CC=C(S1)C#CCCCC#C/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H20O3S/c1-24-21-17-16-20(26-21)11-9-7-5-3-4-6-8-10-18-12-14-19(15-13-18)22(23)25-2/h8,10,12-17H,3,5,7H2,1-2H3/b10-8+