4,5,6,7-tetrakis(oxidanyl)-3-oxidanylidene-4,5,7-tris(phenylcarbonyloxy)heptanoate

Systemtic Name: 4,5,6,7-tetrakis(oxidanyl)-3-oxidanylidene-4,5,7-tris(phenylcarbonyloxy)heptanoate Openeye Name: 4,5,7-tribenzoyloxy-4,5,6,7-tetrahydroxy-3-oxo-heptanoate CAS Name: 4,5,7-tribenzoyloxy-4,5,6,7-tetrahydroxy-3-oxoheptanoate IUPAC Name: 4,5,7-tribenzoyloxy-4,5,6,7-tetrahydroxy-3-oxoheptanoate Traditional Name: 4,5,7-tribenzoyloxy-4,5,6,7-tetrahydroxy-3-keto-enanthate Formula: C28H23O13- MolecularWeight: 567.47442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C(C(C(C(=O)CC(=O)[O-])(O)OC(=O)C2=CC=CC=C2)(O)OC(=O)C3=CC=CC=C3)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(C(C(C(C(=O)CC(=O)[O-])(O)OC(=O)C2=CC=CC=C2)(O)OC(=O)C3=CC=CC=C3)O)O

InChI

InChI=1S/C28H24O13/c29-20(16-21(30)31)27(37,40-24(34)18-12-6-2-7-13-18)28(38,41-25(35)19-14-8-3-9-15-19)22(32)26(36)39-23(33)17-10-4-1-5-11-17/h1-15,22,26,32,36-38H,16H2,(H,30,31)/p-1