2-(4-octadecylsulfanylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

Systemtic Name: 2-(4-octadecylsulfanylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine Openeye Name: 2-(4-octadecylsulfanylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine CAS Name: 2-[4-(octadecylthio)phenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine IUPAC Name: 2-(4-octadecylsulfanylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine Traditional Name: 2-[4-(stearylthio)phenyl]-4,6-bis(trichloromethyl)-s-triazine Formula: C29H41Cl6N3S MolecularWeight: 676.43894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C29H41Cl6N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-39-24-20-18-23(19-21-24)25-36-26(28(30,31)32)38-27(37-25)29(33,34)35/h18-21H,2-17,22H2,1H3