(phenylmethyl) 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate Openeye Name: benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecyl-2-thienyl)-2-thienyl]-2-thienyl]thiophene-2-carboxylate CAS Name: 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecyl-2-thiophenyl)-2-thiophenyl]-2-thiophenyl]-2-thiophenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate Traditional Name: 3-lauryl-5-[3-lauryl-5-[3-lauryl-5-(3-lauryl-2-thienyl)-2-thienyl]-2-thienyl]thiophene-2-carboxylic acid benzyl ester Formula: C72H112O2S4 MolecularWeight: 1137.91848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(SC=C1)C2=CC(=C(S2)C3=CC(=C(S3)C4=CC(=C(S4)C(=O)OCC5=CC=CC=C5)CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=C(SC=C1)C2=CC(=C(S2)C3=CC(=C(S3)C4=CC(=C(S4)C(=O)OCC5=CC=CC=C5)CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCC

InChI

InChI=1S/C72H112O2S4/c1-5-9-13-17-21-25-29-33-37-44-50-61-54-55-75-68(61)65-56-62(51-45-38-34-30-26-22-18-14-10-6-2)69(76-65)66-57-63(52-46-39-35-31-27-23-19-15-11-7-3)70(77-66)67-58-64(53-47-40-36-32-28-24-20-16-12-8-4)71(78-67)72(73)74-59-60-48-42-41-43-49-60/h41-43,48-49,54-58H,5-40,44-47,50-53,59H2,1-4H3