2-(1-oxidanylidene-1-phenylmethoxycarbonyloxy-octan-2-yl)-2-phenyl-propanedioic acid

Systemtic Name: 2-(1-oxidanylidene-1-phenylmethoxycarbonyloxy-octan-2-yl)-2-phenyl-propanedioic acid Openeye Name: 2-(1-benzyloxycarbonyloxycarbonylheptyl)-2-phenyl-propanedioic acid CAS Name: 2-(1-oxo-1-phenylmethoxycarbonyloxyoctan-2-yl)-2-phenylpropanedioic acid IUPAC Name: 2-(1-oxo-1-phenylmethoxycarbonyloxyoctan-2-yl)-2-phenylpropanedioic acid Traditional Name: 2-(1-carbobenzoxyoxycarbonylheptyl)-2-phenyl-malonic acid Formula: C25H28O8 MolecularWeight: 456.48502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC(=O)OCC1=CC=CC=C1)C(C2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)OC(=O)OCC1=CC=CC=C1)C(C2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C25H28O8/c1-2-3-4-11-16-20(21(26)33-24(31)32-17-18-12-7-5-8-13-18)25(22(27)28,23(29)30)19-14-9-6-10-15-19/h5-10,12-15,20H,2-4,11,16-17H2,1H3,(H,27,28)(H,29,30)