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

Systemtic Name: tris[2-tert-butyl-4-(5-tert-butyl-2-methyl-4-sulfanyl-phenyl)-5-methyl-phenyl] phosphite Openeye Name: tris[2-tert-butyl-4-(5-tert-butyl-2-methyl-4-sulfanyl-phenyl)-5-methyl-phenyl] phosphite CAS Name: phosphorous acid tris[2-tert-butyl-4-(5-tert-butyl-4-mercapto-2-methylphenyl)-5-methylphenyl] ester IUPAC Name: tris[2-tert-butyl-4-(5-tert-butyl-2-methyl-4-sulfanylphenyl)-5-methylphenyl] phosphite Traditional Name: phosphorous acid tris[2-tert-butyl-4-(5-tert-butyl-4-mercapto-2-methyl-phenyl)-5-methyl-phenyl] ester Formula: C66H87O3PS3 MolecularWeight: 1055.563941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC(=C(C=C2C)S)C(C)(C)C)C(C)(C)C)OP(OC3=C(C=C(C(=C3)C)C4=CC(=C(C=C4C)S)C(C)(C)C)C(C)(C)C)OC5=C(C=C(C(=C5)C)C6=CC(=C(C=C6C)S)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC(=C(C=C2C)S)C(C)(C)C)C(C)(C)C)OP(OC3=C(C=C(C(=C3)C)C4=CC(=C(C=C4C)S)C(C)(C)C)C(C)(C)C)OC5=C(C=C(C(=C5)C)C6=CC(=C(C=C6C)S)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C66H87O3PS3/c1-37-25-55(49(61(7,8)9)31-43(37)46-34-52(64(16,17)18)58(71)28-40(46)4)67-70(68-56-26-38(2)44(32-50(56)62(10,11)12)47-35-53(65(19,20)21)59(72)29-41(47)5)69-57-27-39(3)45(33-51(57)63(13,14)15)48-36-54(66(22,23)24)60(73)30-42(48)6/h25-36,71-73H,1-24H3