[3-acetyloxy-4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-2-yl] 4-oxidanylbenzoate

Systemtic Name: [3-acetyloxy-4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-2-yl] 4-oxidanylbenzoate Openeye Name: (2-acetoxy-1-formyl-3,4,5-trihydroxy-pentyl) 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid (3-acetyloxy-4,5,6-trihydroxy-1-oxohexan-2-yl) ester IUPAC Name: (3-acetyloxy-4,5,6-trihydroxy-1-oxohexan-2-yl) 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid (2-acetoxy-1-formyl-3,4,5-trihydroxy-pentyl) ester Formula: C15H18O9 MolecularWeight: 342.29802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O9/c1-8(18)23-14(13(21)11(20)6-16)12(7-17)24-15(22)9-2-4-10(19)5-3-9/h2-5,7,11-14,16,19-21H,6H2,1H3