4-[1,2,4,5-tetrakis(oxidanyl)pentan-3-yloxycarbonyl]benzoic acid

Systemtic Name: 4-[1,2,4,5-tetrakis(oxidanyl)pentan-3-yloxycarbonyl]benzoic acid Openeye Name: 4-[1-(1,2-dihydroxyethyl)-2,3-dihydroxy-propoxy]carbonylbenzoic acid CAS Name: 4-[oxo(1,2,4,5-tetrahydroxypentan-3-yloxy)methyl]benzoic acid IUPAC Name: 4-(1,2,4,5-tetrahydroxypentan-3-yloxycarbonyl)benzoic acid Traditional Name: 4-[1-(1,2-dihydroxyethyl)-2,3-dihydroxy-propoxy]carbonylbenzoic acid Formula: C13H16O8 MolecularWeight: 300.26134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)C(=O)OC(C(CO)O)C(CO)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)C(=O)OC(C(CO)O)C(CO)O

InChI

InChI=1S/C13H16O8/c14-5-9(16)11(10(17)6-15)21-13(20)8-3-1-7(2-4-8)12(18)19/h1-4,9-11,14-17H,5-6H2,(H,18,19)