tris(3-propan-2-ylphenyl) phosphate; tris(4-propan-2-ylphenyl) phosphate

Systemtic Name: tris(3-propan-2-ylphenyl) phosphate; tris(4-propan-2-ylphenyl) phosphate Openeye Name: tris(3-isopropylphenyl) phosphate; tris(4-isopropylphenyl) phosphate CAS Name: phosphoric acid tris(3-propan-2-ylphenyl) ester; phosphoric acid tris(4-propan-2-ylphenyl) ester IUPAC Name: tris(3-propan-2-ylphenyl) phosphate; tris(4-propan-2-ylphenyl) phosphate Traditional Name: phosphoric acid tris(m-cumenyl) ester; phosphoric acid tris(p-cumenyl) ester Formula: C54H66O8P2 MolecularWeight: 905.044562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)C)OC3=CC=C(C=C3)C(C)C.CC(C)C1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C(C)C)OC3=CC=CC(=C3)C(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)C)OC3=CC=C(C=C3)C(C)C.CC(C)C1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C(C)C)OC3=CC=CC(=C3)C(C)C

InChI

InChI=1S/2C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6;1-19(2)22-10-7-13-25(16-22)29-32(28,30-26-14-8-11-23(17-26)20(3)4)31-27-15-9-12-24(18-27)21(5)6/h2*7-21H,1-6H3