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

Systemtic Name: N1,N4-bis[4-(octylsulfanylmethyl)phenyl]benzene-1,4-diamine Openeye Name: N1,N4-bis[4-(octylsulfanylmethyl)phenyl]benzene-1,4-diamine CAS Name: N1,N4-bis[4-[(octylthio)methyl]phenyl]benzene-1,4-diamine IUPAC Name: 1-N,4-N-bis[4-(octylsulfanylmethyl)phenyl]benzene-1,4-diamine Traditional Name: [4-[4-[(octylthio)methyl]anilino]phenyl]-[4-[(octylthio)methyl]phenyl]amine Formula: C36H52N2S2 MolecularWeight: 576.94148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=C(C=C3)CSCCCCCCCC

Isomeric SMILES

CCCCCCCCSCC1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=C(C=C3)CSCCCCCCCC

InChI

InChI=1S/C36H52N2S2/c1-3-5-7-9-11-13-27-39-29-31-15-19-33(20-16-31)37-35-23-25-36(26-24-35)38-34-21-17-32(18-22-34)30-40-28-14-12-10-8-6-4-2/h15-26,37-38H,3-14,27-30H2,1-2H3