4-(2-ethylhexoxycarbonyl)-1,2-dioxete-3-carboxylic acid

Systemtic Name: 4-(2-ethylhexoxycarbonyl)-1,2-dioxete-3-carboxylic acid Openeye Name: 4-(2-ethylhexoxycarbonyl)dioxete-3-carboxylic acid CAS Name: 4-[2-ethylhexoxy(oxo)methyl]-3-dioxetecarboxylic acid IUPAC Name: 4-(2-ethylhexoxycarbonyl)dioxete-3-carboxylic acid Traditional Name: 4-(2-ethylhexoxycarbonyl)dioxete-3-carboxylic acid Formula: C12H18O6 MolecularWeight: 258.26772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=C(OO1)C(=O)O

Isomeric SMILES

CCCCC(CC)COC(=O)C1=C(OO1)C(=O)O

InChI

InChI=1S/C12H18O6/c1-3-5-6-8(4-2)7-16-12(15)10-9(11(13)14)17-18-10/h8H,3-7H2,1-2H3,(H,13,14)