ethanoic acid; ethyl ethanoate; 5-oxidanylpentan-2-one

Systemtic Name: ethanoic acid; ethyl ethanoate; 5-oxidanylpentan-2-one Openeye Name: acetic acid; ethyl acetate; 5-hydroxypentan-2-one CAS Name: acetic acid; acetic acid ethyl ester; 5-hydroxy-2-pentanone IUPAC Name: acetic acid; ethyl acetate; 5-hydroxypentan-2-one Traditional Name: acetic acid; acetic acid ethyl ester; 5-hydroxypentan-2-one Formula: C65H130O42 MolecularWeight: 1583.7025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CC(=O)CCCO.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O

Isomeric SMILES

CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CCOC(=O)C.CC(=O)CCCO.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O

InChI

InChI=1S/C5H10O2.10C4H8O2.10C2H4O2/c1-5(7)3-2-4-6;10*1-3-6-4(2)5;10*1-2(3)4/h6H,2-4H2,1H3;10*3H2,1-2H3;10*1H3,(H,3,4)