2,6-ditert-butyl-4-[[4,6-di(morpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]sulfanyl]phenol dichloride

Systemtic Name: 2,6-ditert-butyl-4-[[4,6-di(morpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]sulfanyl]phenol dichloride Openeye Name: 2,6-ditert-butyl-4-[[4,6-di(morpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]sulfanyl]phenol dichloride CAS Name: 4-[[4,6-bis(4-morpholin-4-iumyl)-1,3,5-triazin-2-yl]thio]-2,6-ditert-butylphenol dichloride IUPAC Name: 2,6-ditert-butyl-4-[[4,6-di(morpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]sulfanyl]phenol dichloride Traditional Name: 2,6-ditert-butyl-4-[[4,6-di(morpholin-4-ium-4-yl)-s-triazin-2-yl]thio]phenol dichloride Formula: C25H39Cl2N5O3S MolecularWeight: 560.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2=NC(=NC(=N2)[NH+]3CCOCC3)[NH+]4CCOCC4.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2=NC(=NC(=N2)[NH+]3CCOCC3)[NH+]4CCOCC4.[Cl-].[Cl-]

InChI

InChI=1S/C25H37N5O3S.2ClH/c1-24(2,3)18-15-17(16-19(20(18)31)25(4,5)6)34-23-27-21(29-7-11-32-12-8-29)26-22(28-23)30-9-13-33-14-10-30;;/h15-16,31H,7-14H2,1-6H3;2*1H