2,4-bis[1-(3,5-ditert-butylphenoxy)ethylsulfanyl]-1,3,5-triazine; 2-hexylthiepan-4-ol

Systemtic Name: 2,4-bis[1-(3,5-ditert-butylphenoxy)ethylsulfanyl]-1,3,5-triazine; 2-hexylthiepan-4-ol Openeye Name: 2,4-bis[1-(3,5-ditert-butylphenoxy)ethylsulfanyl]-1,3,5-triazine; 2-hexylthiepan-4-ol CAS Name: 2,4-bis[1-(3,5-ditert-butylphenoxy)ethylthio]-1,3,5-triazine; 2-hexyl-4-thiepanol IUPAC Name: 2,4-bis[1-(3,5-ditert-butylphenoxy)ethylsulfanyl]-1,3,5-triazine; 2-hexylthiepan-4-ol Traditional Name: 2,4-bis[1-(3,5-ditert-butylphenoxy)ethylthio]-s-triazine; 2-hexylthiepan-4-ol Formula: C47H75N3O3S3 MolecularWeight: 826.3117

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(CCCS1)O.CC(OC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)SC2=NC(=NC=N2)SC(C)OC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCC1CC(CCCS1)O.CC(OC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)SC2=NC(=NC=N2)SC(C)OC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C35H51N3O2S2.C12H24OS/c1-22(39-28-17-24(32(3,4)5)15-25(18-28)33(6,7)8)41-30-36-21-37-31(38-30)42-23(2)40-29-19-26(34(9,10)11)16-27(20-29)35(12,13)14;1-2-3-4-5-8-12-10-11(13)7-6-9-14-12/h15-23H,1-14H3;11-13H,2-10H2,1H3