methyl 2-bromanyl-5-methoxy-6-[2-methoxy-6-methoxycarbonyl-3,4-bis(phenylmethoxy)phenyl]-3,4-bis(phenylmethoxy)benzoate

Systemtic Name: methyl 2-bromanyl-5-methoxy-6-[2-methoxy-6-methoxycarbonyl-3,4-bis(phenylmethoxy)phenyl]-3,4-bis(phenylmethoxy)benzoate Openeye Name: methyl 3,4-dibenzyloxy-2-bromo-6-(3,4-dibenzyloxy-2-methoxy-6-methoxycarbonyl-phenyl)-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxy-6-[2-methoxy-6-methoxycarbonyl-3,4-bis(phenylmethoxy)phenyl]-3,4-bis(phenylmethoxy)benzoic acid methyl ester IUPAC Name: methyl 2-bromo-5-methoxy-6-[2-methoxy-6-methoxycarbonyl-3,4-bis(phenylmethoxy)phenyl]-3,4-bis(phenylmethoxy)benzoate Traditional Name: 3,4-dibenzoxy-2-bromo-6-(3,4-dibenzoxy-6-carbomethoxy-2-methoxy-phenyl)-5-methoxy-benzoic acid methyl ester Formula: C46H41BrO10 MolecularWeight: 833.71574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=O)OC)C4=C(C(=C(C(=C4OC)OCC5=CC=CC=C5)OCC6=CC=CC=C6)Br)C(=O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=O)OC)C4=C(C(=C(C(=C4OC)OCC5=CC=CC=C5)OCC6=CC=CC=C6)Br)C(=O)OC

InChI

InChI=1S/C46H41BrO10/c1-50-41-36(34(45(48)52-3)25-35(54-26-30-17-9-5-10-18-30)40(41)55-27-31-19-11-6-12-20-31)37-38(46(49)53-4)39(47)43(56-28-32-21-13-7-14-22-32)44(42(37)51-2)57-29-33-23-15-8-16-24-33/h5-25H,26-29H2,1-4H3