(2-tert-butylphenyl) diphenyl phosphate; (3-tert-butylphenyl) diphenyl phosphate; (4-tert-butylphenyl) diphenyl phosphate

Systemtic Name: (2-tert-butylphenyl) diphenyl phosphate; (3-tert-butylphenyl) diphenyl phosphate; (4-tert-butylphenyl) diphenyl phosphate Openeye Name: (2-tert-butylphenyl) diphenyl phosphate; (3-tert-butylphenyl) diphenyl phosphate; (4-tert-butylphenyl) diphenyl phosphate CAS Name: phosphoric acid (2-tert-butylphenyl) diphenyl ester; phosphoric acid (3-tert-butylphenyl) diphenyl ester; phosphoric acid (4-tert-butylphenyl) diphenyl ester IUPAC Name: (2-tert-butylphenyl) diphenyl phosphate; (3-tert-butylphenyl) diphenyl phosphate; (4-tert-butylphenyl) diphenyl phosphate Traditional Name: phosphoric acid (2-tert-butylphenyl) diphenyl ester; phosphoric acid (3-tert-butylphenyl) diphenyl ester; phosphoric acid (4-tert-butylphenyl) diphenyl ester Formula: C66H69O12P3 MolecularWeight: 1147.168143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3.CC(C)(C)C1=CC(=CC=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3.CC(C)(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3.CC(C)(C)C1=CC(=CC=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3.CC(C)(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/3C22H23O4P/c1-22(2,3)18-11-10-16-21(17-18)26-27(23,24-19-12-6-4-7-13-19)25-20-14-8-5-9-15-20;1-22(2,3)20-16-10-11-17-21(20)26-27(23,24-18-12-6-4-7-13-18)25-19-14-8-5-9-15-19;1-22(2,3)18-14-16-21(17-15-18)26-27(23,24-19-10-6-4-7-11-19)25-20-12-8-5-9-13-20/h3*4-17H,1-3H3