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

Systemtic Name: methyl 4-hexyl-5-[5-[4-hexyl-5-(5-iodanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate Openeye Name: methyl 4-hexyl-5-[5-[4-hexyl-5-(5-iodo-2-thienyl)-2-thienyl]-2-thienyl]thiophene-2-carboxylate CAS Name: 4-hexyl-5-[5-[4-hexyl-5-(5-iodo-2-thiophenyl)-2-thiophenyl]-2-thiophenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-hexyl-5-[5-[4-hexyl-5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate Traditional Name: 4-hexyl-5-[5-[4-hexyl-5-(5-iodo-2-thienyl)-2-thienyl]-2-thienyl]thiophene-2-carboxylic acid methyl ester Formula: C30H35IO2S4 MolecularWeight: 682.76217

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(SC(=C1)C2=CC=C(S2)C3=C(C=C(S3)C(=O)OC)CCCCCC)C4=CC=C(S4)I

Isomeric SMILES

CCCCCCC1=C(SC(=C1)C2=CC=C(S2)C3=C(C=C(S3)C(=O)OC)CCCCCC)C4=CC=C(S4)I

InChI

InChI=1S/C30H35IO2S4/c1-4-6-8-10-12-20-18-25(36-29(20)24-16-17-27(31)35-24)22-14-15-23(34-22)28-21(13-11-9-7-5-2)19-26(37-28)30(32)33-3/h14-19H,4-13H2,1-3H3