2-tert-butyl-6-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)sulfanyl-4-methyl-phenol; 2,6-ditert-butylphenol; samarium

Systemtic Name: 2-tert-butyl-6-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)sulfanyl-4-methyl-phenol; 2,6-ditert-butylphenol; samarium Openeye Name: 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)sulfanyl-4-methyl-phenol; 2,6-ditert-butylphenol; samarium CAS Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)thio]-4-methylphenol; 2,6-ditert-butylphenol; samarium IUPAC Name: 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol; 2,6-ditert-butylphenol; samarium Traditional Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)thio]-4-methyl-phenol; 2,6-ditert-butylphenol; samarium Formula: C72H104O6S2Sm2 MolecularWeight: 1430.44256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C(C)(C)C)C)O)C(C)(C)C.CC1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C(C)(C)C)C)O)C(C)(C)C.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O.[Sm].[Sm]

Isomeric SMILES

CC1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C(C)(C)C)C)O)C(C)(C)C.CC1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C(C)(C)C)C)O)C(C)(C)C.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O.[Sm].[Sm]

InChI

InChI=1S/2C22H30O2S.2C14H22O.2Sm/c2*1-13-9-15(21(3,4)5)19(23)17(11-13)25-18-12-14(2)10-16(20(18)24)22(6,7)8;2*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;;/h2*9-12,23-24H,1-8H3;2*7-9,15H,1-6H3;;