[3-(hydroxymethyl)-1,4-bis(oxidanyl)butan-2-yl] benzoate dibenzoate

Systemtic Name: [3-(hydroxymethyl)-1,4-bis(oxidanyl)butan-2-yl] benzoate dibenzoate Openeye Name: [3-hydroxy-1,2-bis(hydroxymethyl)propyl] benzoate dibenzoate CAS Name: benzoic acid [1,4-dihydroxy-3-(hydroxymethyl)butan-2-yl] ester dibenzoate IUPAC Name: [1,4-dihydroxy-3-(hydroxymethyl)butan-2-yl] benzoate dibenzoate Traditional Name: benzoic acid (3-hydroxy-1,2-dimethylol-propyl) ester dibenzoate Formula: C26H26O9-2 MolecularWeight: 482.47924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)OC(CO)C(CO)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)OC(CO)C(CO)CO

InChI

InChI=1S/C12H16O5.2C7H6O2/c13-6-10(7-14)11(8-15)17-12(16)9-4-2-1-3-5-9;2*8-7(9)6-4-2-1-3-5-6/h1-5,10-11,13-15H,6-8H2;2*1-5H,(H,8,9)/p-2