(phenylmethyl) 3-hexyl-5-(3-hexylthiophen-2-yl)thiophene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-hexyl-5-(3-hexylthiophen-2-yl)thiophene-2-carboxylate Openeye Name: benzyl 3-hexyl-5-(3-hexyl-2-thienyl)thiophene-2-carboxylate CAS Name: 3-hexyl-5-(3-hexyl-2-thiophenyl)-2-thiophenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-hexyl-5-(3-hexylthiophen-2-yl)thiophene-2-carboxylate Traditional Name: 3-hexyl-5-(3-hexyl-2-thienyl)thiophene-2-carboxylic acid benzyl ester Formula: C28H36O2S2 MolecularWeight: 468.71424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(SC=C1)C2=CC(=C(S2)C(=O)OCC3=CC=CC=C3)CCCCCC

Isomeric SMILES

CCCCCCC1=C(SC=C1)C2=CC(=C(S2)C(=O)OCC3=CC=CC=C3)CCCCCC

InChI

InChI=1S/C28H36O2S2/c1-3-5-7-12-16-23-18-19-31-26(23)25-20-24(17-13-8-6-4-2)27(32-25)28(29)30-21-22-14-10-9-11-15-22/h9-11,14-15,18-20H,3-8,12-13,16-17,21H2,1-2H3