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

Systemtic Name: methyl 2-bromanyl-5-methoxy-6-[2-methoxy-6-methoxycarbonyl-3,4-bis(phenylcarbonyloxy)phenyl]-3,4-bis(phenylcarbonyloxy)benzoate Openeye Name: methyl 3,4-dibenzoyloxy-2-bromo-6-(3,4-dibenzoyloxy-2-methoxy-6-methoxycarbonyl-phenyl)-5-methoxy-benzoate CAS Name: 3,4-dibenzoyloxy-2-bromo-6-(3,4-dibenzoyloxy-2-methoxy-6-methoxycarbonylphenyl)-5-methoxybenzoic acid methyl ester IUPAC Name: methyl 3,4-dibenzoyloxy-2-bromo-6-(3,4-dibenzoyloxy-2-methoxy-6-methoxycarbonylphenyl)-5-methoxybenzoate Traditional Name: 3,4-dibenzoyloxy-2-bromo-6-(3,4-dibenzoyloxy-6-carbomethoxy-2-methoxy-phenyl)-5-methoxy-benzoic acid methyl ester Formula: C46H33BrO14 MolecularWeight: 889.64982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C(=O)OC)C4=C(C(=C(C(=C4OC)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)Br)C(=O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C(=O)OC)C4=C(C(=C(C(=C4OC)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)Br)C(=O)OC

InChI

InChI=1S/C46H33BrO14/c1-54-37-32(30(45(52)56-3)25-31(58-41(48)26-17-9-5-10-18-26)36(37)59-42(49)27-19-11-6-12-20-27)33-34(46(53)57-4)35(47)39(60-43(50)28-21-13-7-14-22-28)40(38(33)55-2)61-44(51)29-23-15-8-16-24-29/h5-25H,1-4H3