diethyl 2,5-bis[(2-octylsulfanylphenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylate

Systemtic Name: diethyl 2,5-bis[(2-octylsulfanylphenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: diethyl 2,5-bis(2-octylsulfanylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 2,5-bis[2-(octylthio)anilino]cyclohexa-1,4-diene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-bis(2-octylsulfanylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 2,5-bis[2-(octylthio)anilino]cyclohexa-1,4-diene-1,4-dicarboxylic acid diethyl ester Formula: C40H58N2O4S2 MolecularWeight: 695.02952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=CC=C1NC2=C(CC(=C(C2)C(=O)OCC)NC3=CC=CC=C3SCCCCCCCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCSC1=CC=CC=C1NC2=C(CC(=C(C2)C(=O)OCC)NC3=CC=CC=C3SCCCCCCCC)C(=O)OCC

InChI

InChI=1S/C40H58N2O4S2/c1-5-9-11-13-15-21-27-47-37-25-19-17-23-33(37)41-35-29-32(40(44)46-8-4)36(30-31(35)39(43)45-7-3)42-34-24-18-20-26-38(34)48-28-22-16-14-12-10-6-2/h17-20,23-26,41-42H,5-16,21-22,27-30H2,1-4H3