benzaldehyde; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one

Systemtic Name: benzaldehyde; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one Openeye Name: benzaldehyde; 1,3,4,5,6-pentahydroxyhexan-2-one CAS Name: benzaldehyde; 1,3,4,5,6-pentahydroxy-2-hexanone IUPAC Name: benzaldehyde; 1,3,4,5,6-pentahydroxyhexan-2-one Traditional Name: benzaldehyde; 1,3,4,5,6-pentahydroxyhexan-2-one Formula: C13H18O7 MolecularWeight: 286.27782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=O.C(C(C(C(C(=O)CO)O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C=O.C(C(C(C(C(=O)CO)O)O)O)O

InChI

InChI=1S/C7H6O.C6H12O6/c8-6-7-4-2-1-3-5-7;7-1-3(9)5(11)6(12)4(10)2-8/h1-6H;3,5-9,11-12H,1-2H2