bis[(2R)-1-(3-diphenylphosphoryl-2-iodanyl-4-methoxy-phenoxy)-3,3-dimethyl-1-oxidanylidene-butan-2-yl] benzene-1,2-dicarboxylate

Systemtic Name: bis[(2R)-1-(3-diphenylphosphoryl-2-iodanyl-4-methoxy-phenoxy)-3,3-dimethyl-1-oxidanylidene-butan-2-yl] benzene-1,2-dicarboxylate Openeye Name: bis[(1R)-1-(3-diphenylphosphoryl-2-iodo-4-methoxy-phenoxy)carbonyl-2,2-dimethyl-propyl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis[(2R)-1-(3-diphenylphosphoryl-2-iodo-4-methoxyphenoxy)-3,3-dimethyl-1-oxobutan-2-yl] ester IUPAC Name: bis[(2R)-1-(3-diphenylphosphoryl-2-iodo-4-methoxyphenoxy)-3,3-dimethyl-1-oxobutan-2-yl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis[(1R)-1-(3-diphenylphosphoryl-2-iodo-4-methoxy-phenoxy)carbonyl-2,2-dimethyl-propyl] ester Formula: C58H54I2O12P2 MolecularWeight: 1258.798622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)OC1=C(C(=C(C=C1)OC)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)I)OC(=O)C4=CC=CC=C4C(=O)OC(C(=O)OC5=C(C(=C(C=C5)OC)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7)I)C(C)(C)C

Isomeric SMILES

CC(C)(C)[C@H](C(=O)OC1=C(C(=C(C=C1)OC)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)I)OC(=O)C4=CC=CC=C4C(=O)O[C@@H](C(=O)OC5=C(C(=C(C=C5)OC)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7)I)C(C)(C)C

InChI

InChI=1S/C58H54I2O12P2/c1-57(2,3)51(55(63)69-43-33-35-45(67-7)49(47(43)59)73(65,37-23-13-9-14-24-37)38-25-15-10-16-26-38)71-53(61)41-31-21-22-32-42(41)54(62)72-52(58(4,5)6)56(64)70-44-34-36-46(68-8)50(48(44)60)74(66,39-27-17-11-18-28-39)40-29-19-12-20-30-40/h9-36,51-52H,1-8H3/t51-,52-/m0/s1