tris[2-tert-butyl-4-(5-tert-butyl-2-methyl-4-oxidanyl-phenyl)sulfanyl-5-methyl-phenyl] phosphite

Systemtic Name: tris[2-tert-butyl-4-(5-tert-butyl-2-methyl-4-oxidanyl-phenyl)sulfanyl-5-methyl-phenyl] phosphite Openeye Name: tris[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methyl-phenyl)sulfanyl-5-methyl-phenyl] phosphite CAS Name: phosphorous acid tris[2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)thio]-5-methylphenyl] ester IUPAC Name: tris[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenyl] phosphite Traditional Name: phosphorous acid tris[2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methyl-phenyl)thio]-5-methyl-phenyl] ester Formula: C66H87O6PS3 MolecularWeight: 1103.562141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)OP(OC3=C(C=C(C(=C3)C)SC4=CC(=C(C=C4C)O)C(C)(C)C)C(C)(C)C)OC5=C(C=C(C(=C5)C)SC6=CC(=C(C=C6C)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)OP(OC3=C(C=C(C(=C3)C)SC4=CC(=C(C=C4C)O)C(C)(C)C)C(C)(C)C)OC5=C(C=C(C(=C5)C)SC6=CC(=C(C=C6C)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O

InChI

InChI=1S/C66H87O6PS3/c1-37-25-49(67)43(61(7,8)9)31-55(37)74-58-34-46(64(16,17)18)52(28-40(58)4)70-73(71-53-29-41(5)59(35-47(53)65(19,20)21)75-56-32-44(62(10,11)12)50(68)26-38(56)2)72-54-30-42(6)60(36-48(54)66(22,23)24)76-57-33-45(63(13,14)15)51(69)27-39(57)3/h25-36,67-69H,1-24H3