ethyl ethanoate; hexane; 2-propan-2-yloxypropane

Systemtic Name: ethyl ethanoate; hexane; 2-propan-2-yloxypropane Openeye Name: ethyl acetate; hexane; 2-isopropoxypropane CAS Name: acetic acid ethyl ester; hexane; 2-propan-2-yloxypropane IUPAC Name: ethyl acetate; hexane; 2-propan-2-yloxypropane Traditional Name: acetic acid ethyl ester; 2-isopropoxypropane; n-hexane Formula: C16H36O3 MolecularWeight: 276.45524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CCOC(=O)C.CC(C)OC(C)C

Isomeric SMILES

CCCCCC.CCOC(=O)C.CC(C)OC(C)C

InChI

InChI=1S/C6H14O.C6H14.C4H8O2/c1-5(2)7-6(3)4;1-3-5-6-4-2;1-3-6-4(2)5/h5-6H,1-4H3;3-6H2,1-2H3;3H2,1-2H3