4,5-bis[2,3-bis(phenoxycarbonyl)phenyl]-2-oxidanyl-benzene-1,3-dicarboxylate

Systemtic Name: 4,5-bis[2,3-bis(phenoxycarbonyl)phenyl]-2-oxidanyl-benzene-1,3-dicarboxylate Openeye Name: 4,5-bis[2,3-bis(phenoxycarbonyl)phenyl]-2-hydroxy-benzene-1,3-dicarboxylate CAS Name: 4,5-bis[2,3-bis[oxo(phenoxy)methyl]phenyl]-2-hydroxybenzene-1,3-dicarboxylate IUPAC Name: 4,5-bis[2,3-bis(phenoxycarbonyl)phenyl]-2-hydroxybenzene-1,3-dicarboxylate Traditional Name: 4,5-bis(2,3-dicarbophenoxyphenyl)-2-hydroxy-isophthalate Formula: C48H28O13-2 MolecularWeight: 812.72812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC=CC(=C2C(=O)OC3=CC=CC=C3)C4=CC(=C(C(=C4C5=C(C(=CC=C5)C(=O)OC6=CC=CC=C6)C(=O)OC7=CC=CC=C7)C(=O)[O-])O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=CC(=C2C(=O)OC3=CC=CC=C3)C4=CC(=C(C(=C4C5=C(C(=CC=C5)C(=O)OC6=CC=CC=C6)C(=O)OC7=CC=CC=C7)C(=O)[O-])O)C(=O)[O-]

InChI

InChI=1S/C48H30O13/c49-42-37(43(50)51)27-36(32-23-13-25-34(45(54)58-28-15-5-1-6-16-28)39(32)47(56)60-30-19-9-3-10-20-30)38(41(42)44(52)53)33-24-14-26-35(46(55)59-29-17-7-2-8-18-29)40(33)48(57)61-31-21-11-4-12-22-31/h1-27,49H,(H,50,51)(H,52,53)/p-2