[3-(hydroxymethyl)-2-methyl-heptyl] hydrogen carbonate

Systemtic Name: [3-(hydroxymethyl)-2-methyl-heptyl] hydrogen carbonate Openeye Name: [3-(hydroxymethyl)-2-methyl-heptyl] hydrogen carbonate CAS Name: carbonic acid [3-(hydroxymethyl)-2-methylheptyl] ester IUPAC Name: [3-(hydroxymethyl)-2-methylheptyl] hydrogen carbonate Traditional Name: carbonic acid (2-methyl-3-methylol-heptyl) ester Formula: C10H20O4 MolecularWeight: 204.2634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CO)C(C)COC(=O)O

Isomeric SMILES

CCCCC(CO)C(C)COC(=O)O

InChI

InChI=1S/C10H20O4/c1-3-4-5-9(6-11)8(2)7-14-10(12)13/h8-9,11H,3-7H2,1-2H3,(H,12,13)