(4-methylsulfonylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite

Systemtic Name: (4-methylsulfonylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite Openeye Name: (4-methylsulfonylphenyl) bis[3,6,8-tris(1,1,2-trimethylpropyl)-2-naphthyl] phosphite CAS Name: phosphorous acid (4-methylsulfonylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)-2-naphthalenyl] ester IUPAC Name: (4-methylsulfonylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite Traditional Name: phosphorous acid (4-mesylphenyl) bis(3,6,8-trithexyl-2-naphthyl) ester Formula: C63H93O5PS MolecularWeight: 993.448281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C)C1=CC(=C2C=C(C(=CC2=C1)C(C)(C)C(C)C)OP(OC3=CC=C(C=C3)S(=O)(=O)C)OC4=CC5=C(C=C(C=C5C=C4C(C)(C)C(C)C)C(C)(C)C(C)C)C(C)(C)C(C)C)C(C)(C)C(C)C

Isomeric SMILES

CC(C)C(C)(C)C1=CC(=C2C=C(C(=CC2=C1)C(C)(C)C(C)C)OP(OC3=CC=C(C=C3)S(=O)(=O)C)OC4=CC5=C(C=C(C=C5C=C4C(C)(C)C(C)C)C(C)(C)C(C)C)C(C)(C)C(C)C)C(C)(C)C(C)C

InChI

InChI=1S/C63H93O5PS/c1-38(2)58(13,14)46-30-44-32-54(62(21,22)42(9)10)56(36-50(44)52(34-46)60(17,18)40(5)6)67-69(66-48-26-28-49(29-27-48)70(25,64)65)68-57-37-51-45(33-55(57)63(23,24)43(11)12)31-47(59(15,16)39(3)4)35-53(51)61(19,20)41(7)8/h26-43H,1-25H3