methyl 3,6-dimethyl-5-octadecylsulfanyl-thieno[3,2-b]thiophene-2-carboxylate

Systemtic Name: methyl 3,6-dimethyl-5-octadecylsulfanyl-thieno[3,2-b]thiophene-2-carboxylate Openeye Name: methyl 3,6-dimethyl-5-octadecylsulfanyl-thieno[3,2-b]thiophene-2-carboxylate CAS Name: 3,6-dimethyl-5-(octadecylthio)-2-thieno[3,2-b]thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3,6-dimethyl-5-octadecylsulfanylthieno[3,2-b]thiophene-2-carboxylate Traditional Name: 3,6-dimethyl-5-(stearylthio)thieno[3,2-b]thiophene-2-carboxylic acid methyl ester Formula: C28H46O2S3 MolecularWeight: 510.85864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=C(C2=C(S1)C(=C(S2)C(=O)OC)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=C(C2=C(S1)C(=C(S2)C(=O)OC)C)C

InChI

InChI=1S/C28H46O2S3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-28-23(3)25-24(33-28)22(2)26(32-25)27(29)30-4/h5-21H2,1-4H3