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

Systemtic Name: 3,6-dimethyl-2-nitro-5-octadecylsulfanyl-thieno[3,2-b]thiophene Openeye Name: 3,6-dimethyl-2-nitro-5-octadecylsulfanyl-thieno[3,2-b]thiophene CAS Name: 3,6-dimethyl-2-nitro-5-(octadecylthio)thieno[3,2-b]thiophene IUPAC Name: 3,6-dimethyl-2-nitro-5-octadecylsulfanylthieno[3,2-b]thiophene Traditional Name: 3,6-dimethyl-2-nitro-5-(stearylthio)thieno[3,2-b]thiophene Formula: C26H43NO2S3 MolecularWeight: 497.82012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=C(C2=C(S1)C(=C(S2)[N+](=O)[O-])C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=C(C2=C(S1)C(=C(S2)[N+](=O)[O-])C)C

InChI

InChI=1S/C26H43NO2S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-26-22(3)24-23(32-26)21(2)25(31-24)27(28)29/h4-20H2,1-3H3