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

Systemtic Name: diethyl 2,5-bis[(2-hexylsulfanylphenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: diethyl 2,5-bis(2-hexylsulfanylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 2,5-bis[2-(hexylthio)anilino]cyclohexa-1,4-diene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-bis(2-hexylsulfanylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 2,5-bis[2-(hexylthio)anilino]cyclohexa-1,4-diene-1,4-dicarboxylic acid diethyl ester Formula: C36H50N2O4S2 MolecularWeight: 638.9232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC=CC=C1NC2=C(CC(=C(C2)C(=O)OCC)NC3=CC=CC=C3SCCCCCC)C(=O)OCC

Isomeric SMILES

CCCCCCSC1=CC=CC=C1NC2=C(CC(=C(C2)C(=O)OCC)NC3=CC=CC=C3SCCCCCC)C(=O)OCC

InChI

InChI=1S/C36H50N2O4S2/c1-5-9-11-17-23-43-33-21-15-13-19-29(33)37-31-25-28(36(40)42-8-4)32(26-27(31)35(39)41-7-3)38-30-20-14-16-22-34(30)44-24-18-12-10-6-2/h13-16,19-22,37-38H,5-12,17-18,23-26H2,1-4H3