2-(2-phenylmethoxycarbonyloxycarbonylphenyl)-2-[7-(2-phenylmethoxycarbonyloxycarbonylphenyl)heptyl]propanedioic acid

Systemtic Name: 2-(2-phenylmethoxycarbonyloxycarbonylphenyl)-2-[7-(2-phenylmethoxycarbonyloxycarbonylphenyl)heptyl]propanedioic acid Openeye Name: 2-(2-benzyloxycarbonyloxycarbonylphenyl)-2-[7-(2-benzyloxycarbonyloxycarbonylphenyl)heptyl]propanedioic acid CAS Name: 2-[2-[oxo(phenylmethoxycarbonyloxy)methyl]phenyl]-2-[7-[2-[oxo(phenylmethoxycarbonyloxy)methyl]phenyl]heptyl]propanedioic acid IUPAC Name: 2-(2-phenylmethoxycarbonyloxycarbonylphenyl)-2-[7-(2-phenylmethoxycarbonyloxycarbonylphenyl)heptyl]propanedioic acid Traditional Name: 2-(2-carbobenzoxyoxycarbonylphenyl)-2-[7-(2-carbobenzoxyoxycarbonylphenyl)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)OC(=O)C2=CC=CC=C2CCCCCCCC(C3=CC=CC=C3C(=O)OC(=O)OCC4=CC=CC=C4)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)OC(=O)C2=CC=CC=C2CCCCCCCC(C3=CC=CC=C3C(=O)OC(=O)OCC4=CC=CC=C4)(C(=O)O)C(=O)O

InChI

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