3-[2,2-dimethyl-1,4,5-tris(oxidanyl)pentan-3-yl]oxycarbonylbenzoic acid

Systemtic Name: 3-[2,2-dimethyl-1,4,5-tris(oxidanyl)pentan-3-yl]oxycarbonylbenzoic acid Openeye Name: 3-[1-(1,2-dihydroxyethyl)-3-hydroxy-2,2-dimethyl-propoxy]carbonylbenzoic acid CAS Name: 3-[oxo-(1,4,5-trihydroxy-2,2-dimethylpentan-3-yl)oxymethyl]benzoic acid IUPAC Name: 3-(1,4,5-trihydroxy-2,2-dimethylpentan-3-yl)oxycarbonylbenzoic acid Traditional Name: 3-[1-(1,2-dihydroxyethyl)-3-hydroxy-2,2-dimethyl-propoxy]carbonylbenzoic acid Formula: C15H20O7 MolecularWeight: 312.3151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O7/c1-15(2,8-17)12(11(18)7-16)22-14(21)10-5-3-4-9(6-10)13(19)20/h3-6,11-12,16-18H,7-8H2,1-2H3,(H,19,20)