(2-methylphenyl) diphenyl phosphate; (3-methylphenyl) diphenyl phosphate; (4-methylphenyl) diphenyl phosphate

Systemtic Name: (2-methylphenyl) diphenyl phosphate; (3-methylphenyl) diphenyl phosphate; (4-methylphenyl) diphenyl phosphate Openeye Name: diphenyl p-tolyl phosphate; m-tolyl diphenyl phosphate; o-tolyl diphenyl phosphate CAS Name: phosphoric acid (2-methylphenyl) diphenyl ester; phosphoric acid (3-methylphenyl) diphenyl ester; phosphoric acid (4-methylphenyl) diphenyl ester IUPAC Name: (2-methylphenyl) diphenyl phosphate; (3-methylphenyl) diphenyl phosphate; (4-methylphenyl) diphenyl phosphate Traditional Name: phosphoric acid diphenyl p-tolyl ester; phosphoric acid m-tolyl diphenyl ester; phosphoric acid o-tolyl diphenyl ester Formula: C57H51O12P3 MolecularWeight: 1020.928923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3.CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3.CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3.CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3.CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/3C19H17O4P/c1-16-10-8-9-15-19(16)23-24(20,21-17-11-4-2-5-12-17)22-18-13-6-3-7-14-18;1-16-9-8-14-19(15-16)23-24(20,21-17-10-4-2-5-11-17)22-18-12-6-3-7-13-18;1-16-12-14-19(15-13-16)23-24(20,21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18/h3*2-15H,1H3