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

Systemtic Name: diethyl 2,5-bis[(2-decylsulfanylphenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: diethyl 2,5-bis(2-decylsulfanylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 2,5-bis[2-(decylthio)anilino]cyclohexa-1,4-diene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-bis(2-decylsulfanylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 2,5-bis[2-(decylthio)anilino]cyclohexa-1,4-diene-1,4-dicarboxylic acid diethyl ester Formula: C44H66N2O4S2 MolecularWeight: 751.13584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=CC=CC=C1NC2=C(CC(=C(C2)C(=O)OCC)NC3=CC=CC=C3SCCCCCCCCCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCSC1=CC=CC=C1NC2=C(CC(=C(C2)C(=O)OCC)NC3=CC=CC=C3SCCCCCCCCCC)C(=O)OCC

InChI

InChI=1S/C44H66N2O4S2/c1-5-9-11-13-15-17-19-25-31-51-41-29-23-21-27-37(41)45-39-33-36(44(48)50-8-4)40(34-35(39)43(47)49-7-3)46-38-28-22-24-30-42(38)52-32-26-20-18-16-14-12-10-6-2/h21-24,27-30,45-46H,5-20,25-26,31-34H2,1-4H3