1-butyl-3,5-bis[4-(dodecylsulfanylmethyl)phenyl]-1,3,5-triazinane

Systemtic Name: 1-butyl-3,5-bis[4-(dodecylsulfanylmethyl)phenyl]-1,3,5-triazinane Openeye Name: 1-butyl-3,5-bis[4-(dodecylsulfanylmethyl)phenyl]-1,3,5-triazinane CAS Name: 1-butyl-3,5-bis[4-[(dodecylthio)methyl]phenyl]-1,3,5-triazinane IUPAC Name: 1-butyl-3,5-bis[4-(dodecylsulfanylmethyl)phenyl]-1,3,5-triazinane Traditional Name: 1-butyl-3,5-bis[4-[(laurylthio)methyl]phenyl]-1,3,5-triazinane Formula: C45H77N3S2 MolecularWeight: 724.24298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC1=CC=C(C=C1)N2CN(CN(C2)C3=CC=C(C=C3)CSCCCCCCCCCCCC)CCCC

Isomeric SMILES

CCCCCCCCCCCCSCC1=CC=C(C=C1)N2CN(CN(C2)C3=CC=C(C=C3)CSCCCCCCCCCCCC)CCCC

InChI

InChI=1S/C45H77N3S2/c1-4-7-10-12-14-16-18-20-22-24-35-49-37-42-26-30-44(31-27-42)47-39-46(34-9-6-3)40-48(41-47)45-32-28-43(29-33-45)38-50-36-25-23-21-19-17-15-13-11-8-5-2/h26-33H,4-25,34-41H2,1-3H3