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

Systemtic Name: diethyl 2,5-bis[(2-dodecylsulfanylphenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: diethyl 2,5-bis(2-dodecylsulfanylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 2,5-bis[2-(dodecylthio)anilino]cyclohexa-1,4-diene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-bis(2-dodecylsulfanylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 2,5-bis[2-(laurylthio)anilino]cyclohexa-1,4-diene-1,4-dicarboxylic acid diethyl ester Formula: C48H74N2O4S2 MolecularWeight: 807.24216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC=CC=C1NC2=C(CC(=C(C2)C(=O)OCC)NC3=CC=CC=C3SCCCCCCCCCCCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCSC1=CC=CC=C1NC2=C(CC(=C(C2)C(=O)OCC)NC3=CC=CC=C3SCCCCCCCCCCCC)C(=O)OCC

InChI

InChI=1S/C48H74N2O4S2/c1-5-9-11-13-15-17-19-21-23-29-35-55-45-33-27-25-31-41(45)49-43-37-40(48(52)54-8-4)44(38-39(43)47(51)53-7-3)50-42-32-26-28-34-46(42)56-36-30-24-22-20-18-16-14-12-10-6-2/h25-28,31-34,49-50H,5-24,29-30,35-38H2,1-4H3