carbonic acid; (2-carboxyoxycyclohexyl) hydrogen carbonate; dodecane

Systemtic Name: carbonic acid; (2-carboxyoxycyclohexyl) hydrogen carbonate; dodecane Openeye Name: carbonic acid; (2-carboxyoxycyclohexyl) hydrogen carbonate; dodecane CAS Name: carbonic acid; carbonic acid (2-carboxyoxycyclohexyl) ester; dodecane IUPAC Name: carbonic acid; (2-carboxyoxycyclohexyl) hydrogen carbonate; dodecane Traditional Name: carbonic acid; carbonic acid (2-carboxyoxycyclohexyl) ester; dodecane Formula: C22H42O12 MolecularWeight: 498.56168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC.C1CCC(C(C1)OC(=O)O)OC(=O)O.C(=O)(O)O.C(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCC.C1CCC(C(C1)OC(=O)O)OC(=O)O.C(=O)(O)O.C(=O)(O)O

InChI

InChI=1S/C12H26.C8H12O6.2CH2O3/c1-3-5-7-9-11-12-10-8-6-4-2;9-7(10)13-5-3-1-2-4-6(5)14-8(11)12;2*2-1(3)4/h3-12H2,1-2H3;5-6H,1-4H2,(H,9,10)(H,11,12);2*(H2,2,3,4)