2-(2-carboxy-3-phenylmethoxycarbonyl-phenyl)-2-[7-(2-carboxy-3-phenylmethoxycarbonyl-phenyl)heptyl]propanedioic acid

Systemtic Name: 2-(2-carboxy-3-phenylmethoxycarbonyl-phenyl)-2-[7-(2-carboxy-3-phenylmethoxycarbonyl-phenyl)heptyl]propanedioic acid Openeye Name: 2-(3-benzyloxycarbonyl-2-carboxy-phenyl)-2-[7-(3-benzyloxycarbonyl-2-carboxy-phenyl)heptyl]propanedioic acid CAS Name: 2-(2-carboxy-3-phenylmethoxycarbonylphenyl)-2-[7-(2-carboxy-3-phenylmethoxycarbonylphenyl)heptyl]propanedioic acid IUPAC Name: 2-(2-carboxy-3-phenylmethoxycarbonylphenyl)-2-[7-(2-carboxy-3-phenylmethoxycarbonylphenyl)heptyl]propanedioic acid Traditional Name: 2-(3-carbobenzoxy-2-carboxy-phenyl)-2-[7-(3-carbobenzoxy-2-carboxy-phenyl)heptyl]malonic acid Formula: C40H38O12 MolecularWeight: 710.72252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(C(=CC=C2)CCCCCCCC(C3=CC=CC(=C3C(=O)O)C(=O)OCC4=CC=CC=C4)(C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C(=CC=C2)CCCCCCCC(C3=CC=CC(=C3C(=O)O)C(=O)OCC4=CC=CC=C4)(C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C40H38O12/c41-34(42)32-28(19-12-20-29(32)36(45)51-24-26-14-6-4-7-15-26)18-10-2-1-3-11-23-40(38(47)48,39(49)50)31-22-13-21-30(33(31)35(43)44)37(46)52-25-27-16-8-5-9-17-27/h4-9,12-17,19-22H,1-3,10-11,18,23-25H2,(H,41,42)(H,43,44)(H,47,48)(H,49,50)