tris[2,6-bis(5-methyl-2-propan-2-yl-cyclohexyl)phenyl] phosphate

Systemtic Name: tris[2,6-bis(5-methyl-2-propan-2-yl-cyclohexyl)phenyl] phosphate Openeye Name: tris[2,6-bis(2-isopropyl-5-methyl-cyclohexyl)phenyl] phosphate CAS Name: phosphoric acid tris[2,6-bis(5-methyl-2-propan-2-ylcyclohexyl)phenyl] ester IUPAC Name: tris[2,6-bis(5-methyl-2-propan-2-ylcyclohexyl)phenyl] phosphate Traditional Name: phosphoric acid tris[2,6-bis(2-isopropyl-5-methyl-cyclohexyl)phenyl] ester Formula: C78H123O4P MolecularWeight: 1155.782581

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C2=C(C(=CC=C2)C3CC(CCC3C(C)C)C)OP(=O)(OC4=C(C=CC=C4C5CC(CCC5C(C)C)C)C6CC(CCC6C(C)C)C)OC7=C(C=CC=C7C8CC(CCC8C(C)C)C)C9CC(CCC9C(C)C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)C2=C(C(=CC=C2)C3CC(CCC3C(C)C)C)OP(=O)(OC4=C(C=CC=C4C5CC(CCC5C(C)C)C)C6CC(CCC6C(C)C)C)OC7=C(C=CC=C7C8CC(CCC8C(C)C)C)C9CC(CCC9C(C)C)C)C(C)C

InChI

InChI=1S/C78H123O4P/c1-46(2)58-34-28-52(13)40-70(58)64-22-19-23-65(71-41-53(14)29-35-59(71)47(3)4)76(64)80-83(79,81-77-66(72-42-54(15)30-36-60(72)48(5)6)24-20-25-67(77)73-43-55(16)31-37-61(73)49(7)8)82-78-68(74-44-56(17)32-38-62(74)50(9)10)26-21-27-69(78)75-45-57(18)33-39-63(75)51(11)12/h19-27,46-63,70-75H,28-45H2,1-18H3