tris[5,6-bis(3-hydroxyphenyl)-2,6-dimethyl-cyclohexa-2,4-dien-1-yl] phosphate

Systemtic Name: tris[5,6-bis(3-hydroxyphenyl)-2,6-dimethyl-cyclohexa-2,4-dien-1-yl] phosphate Openeye Name: tris[5,6-bis(3-hydroxyphenyl)-2,6-dimethyl-cyclohexa-2,4-dien-1-yl] phosphate CAS Name: phosphoric acid tris[5,6-bis(3-hydroxyphenyl)-2,6-dimethyl-1-cyclohexa-2,4-dienyl] ester IUPAC Name: tris[5,6-bis(3-hydroxyphenyl)-2,6-dimethylcyclohexa-2,4-dien-1-yl] phosphate Traditional Name: phosphoric acid tris[5,6-bis(3-hydroxyphenyl)-2,6-dimethyl-cyclohexa-2,4-dien-1-yl] ester Formula: C60H57O10P MolecularWeight: 969.062341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(C1OP(=O)(OC2C(=CC=C(C2(C)C3=CC(=CC=C3)O)C4=CC(=CC=C4)O)C)OC5C(=CC=C(C5(C)C6=CC(=CC=C6)O)C7=CC(=CC=C7)O)C)(C)C8=CC(=CC=C8)O)C9=CC(=CC=C9)O

Isomeric SMILES

CC1=CC=C(C(C1OP(=O)(OC2C(=CC=C(C2(C)C3=CC(=CC=C3)O)C4=CC(=CC=C4)O)C)OC5C(=CC=C(C5(C)C6=CC(=CC=C6)O)C7=CC(=CC=C7)O)C)(C)C8=CC(=CC=C8)O)C9=CC(=CC=C9)O

InChI

InChI=1S/C60H57O10P/c1-37-25-28-52(40-13-7-19-46(61)31-40)58(4,43-16-10-22-49(64)34-43)55(37)68-71(67,69-56-38(2)26-29-53(41-14-8-20-47(62)32-41)59(56,5)44-17-11-23-50(65)35-44)70-57-39(3)27-30-54(42-15-9-21-48(63)33-42)60(57,6)45-18-12-24-51(66)36-45/h7-36,55-57,61-66H,1-6H3