(phenylmethyl) 3-dodecyl-5-(3-dodecyl-5-iodanyl-thiophen-2-yl)thiophene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-dodecyl-5-(3-dodecyl-5-iodanyl-thiophen-2-yl)thiophene-2-carboxylate Openeye Name: benzyl 3-dodecyl-5-(3-dodecyl-5-iodo-2-thienyl)thiophene-2-carboxylate CAS Name: 3-dodecyl-5-(3-dodecyl-5-iodo-2-thiophenyl)-2-thiophenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-dodecyl-5-(3-dodecyl-5-iodothiophen-2-yl)thiophene-2-carboxylate Traditional Name: 5-(5-iodo-3-lauryl-2-thienyl)-3-lauryl-thiophene-2-carboxylic acid benzyl ester Formula: C40H59IO2S2 MolecularWeight: 762.92973

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(SC(=C1)C2=C(C=C(S2)I)CCCCCCCCCCCC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC1=C(SC(=C1)C2=C(C=C(S2)I)CCCCCCCCCCCC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C40H59IO2S2/c1-3-5-7-9-11-13-15-17-19-24-28-34-30-36(44-39(34)40(42)43-32-33-26-22-21-23-27-33)38-35(31-37(41)45-38)29-25-20-18-16-14-12-10-8-6-4-2/h21-23,26-27,30-31H,3-20,24-25,28-29,32H2,1-2H3