N1,N4-bis[2-(dodecylsulfanylmethyl)phenyl]benzene-1,4-diamine

Systemtic Name: N1,N4-bis[2-(dodecylsulfanylmethyl)phenyl]benzene-1,4-diamine Openeye Name: N1,N4-bis[2-(dodecylsulfanylmethyl)phenyl]benzene-1,4-diamine CAS Name: N1,N4-bis[2-[(dodecylthio)methyl]phenyl]benzene-1,4-diamine IUPAC Name: 1-N,4-N-bis[2-(dodecylsulfanylmethyl)phenyl]benzene-1,4-diamine Traditional Name: [4-[2-[(laurylthio)methyl]anilino]phenyl]-[2-[(laurylthio)methyl]phenyl]amine Formula: C44H68N2S2 MolecularWeight: 689.15412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC1=CC=CC=C1NC2=CC=C(C=C2)NC3=CC=CC=C3CSCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSCC1=CC=CC=C1NC2=CC=C(C=C2)NC3=CC=CC=C3CSCCCCCCCCCCCC

InChI

InChI=1S/C44H68N2S2/c1-3-5-7-9-11-13-15-17-19-25-35-47-37-39-27-21-23-29-43(39)45-41-31-33-42(34-32-41)46-44-30-24-22-28-40(44)38-48-36-26-20-18-16-14-12-10-8-6-4-2/h21-24,27-34,45-46H,3-20,25-26,35-38H2,1-2H3