methyl 4-hexyl-5-(5-iodanylthiophen-2-yl)thiophene-2-carboxylate

Systemtic Name: methyl 4-hexyl-5-(5-iodanylthiophen-2-yl)thiophene-2-carboxylate Openeye Name: methyl 4-hexyl-5-(5-iodo-2-thienyl)thiophene-2-carboxylate CAS Name: 4-hexyl-5-(5-iodo-2-thiophenyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-hexyl-5-(5-iodothiophen-2-yl)thiophene-2-carboxylate Traditional Name: 4-hexyl-5-(5-iodo-2-thienyl)thiophene-2-carboxylic acid methyl ester Formula: C16H19IO2S2 MolecularWeight: 434.35533

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(SC(=C1)C(=O)OC)C2=CC=C(S2)I

Isomeric SMILES

CCCCCCC1=C(SC(=C1)C(=O)OC)C2=CC=C(S2)I

InChI

InChI=1S/C16H19IO2S2/c1-3-4-5-6-7-11-10-13(16(18)19-2)21-15(11)12-8-9-14(17)20-12/h8-10H,3-7H2,1-2H3