butane-1,4-diol; 1-carboxyoxypropan-2-yl hydrogen carbonate

Systemtic Name: butane-1,4-diol; 1-carboxyoxypropan-2-yl hydrogen carbonate Openeye Name: butane-1,4-diol; (2-carboxyoxy-1-methyl-ethyl) hydrogen carbonate CAS Name: butane-1,4-diol; carbonic acid 1-carboxyoxypropan-2-yl ester IUPAC Name: butane-1,4-diol; 1-carboxyoxypropan-2-yl hydrogen carbonate Traditional Name: butane-1,4-diol; carbonic acid (2-carboxyoxy-1-methyl-ethyl) ester Formula: C9H18O8 MolecularWeight: 254.23442

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)O)OC(=O)O.C(CCO)CO

Isomeric SMILES

CC(COC(=O)O)OC(=O)O.C(CCO)CO

InChI

InChI=1S/C5H8O6.C4H10O2/c1-3(11-5(8)9)2-10-4(6)7;5-3-1-2-4-6/h3H,2H2,1H3,(H,6,7)(H,8,9);5-6H,1-4H2