3-[1,3,6-tris(oxidanyl)hexan-2-yloxycarbonyl]benzoic acid

Systemtic Name: 3-[1,3,6-tris(oxidanyl)hexan-2-yloxycarbonyl]benzoic acid Openeye Name: 3-[2,5-dihydroxy-1-(hydroxymethyl)pentoxy]carbonylbenzoic acid CAS Name: 3-[oxo(1,3,6-trihydroxyhexan-2-yloxy)methyl]benzoic acid IUPAC Name: 3-(1,3,6-trihydroxyhexan-2-yloxycarbonyl)benzoic acid Traditional Name: 3-(2,5-dihydroxy-1-methylol-pentoxy)carbonylbenzoic acid Formula: C14H18O7 MolecularWeight: 298.28852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O7/c15-6-2-5-11(17)12(8-16)21-14(20)10-4-1-3-9(7-10)13(18)19/h1,3-4,7,11-12,15-17H,2,5-6,8H2,(H,18,19)