dimethyl 1,3,4,7-tetrakis(tert-butylsulfanyl)-2-benzothiophene-5,6-dicarboxylate

Systemtic Name: dimethyl 1,3,4,7-tetrakis(tert-butylsulfanyl)-2-benzothiophene-5,6-dicarboxylate Openeye Name: dimethyl 1,3,4,7-tetrakis(tert-butylsulfanyl)-2-benzothiophene-5,6-dicarboxylate CAS Name: 1,3,4,7-tetrakis(tert-butylthio)-2-benzothiophene-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,3,4,7-tetrakis(tert-butylsulfanyl)-2-benzothiophene-5,6-dicarboxylate Traditional Name: 1,3,4,7-tetrakis(tert-butylthio)isobenzothiophene-5,6-dicarboxylic acid dimethyl ester Formula: C28H42O4S5 MolecularWeight: 602.95568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(C(=C(C2=C(SC(=C21)SC(C)(C)C)SC(C)(C)C)SC(C)(C)C)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)SC1=C(C(=C(C2=C(SC(=C21)SC(C)(C)C)SC(C)(C)C)SC(C)(C)C)C(=O)OC)C(=O)OC

InChI

InChI=1S/C28H42O4S5/c1-25(2,3)34-19-15(21(29)31-13)16(22(30)32-14)20(35-26(4,5)6)18-17(19)23(36-27(7,8)9)33-24(18)37-28(10,11)12/h1-14H3