ethyl ethanoate; 2-(5-hexyl-2-methyl-phenyl)ethanoic acid

Systemtic Name: ethyl ethanoate; 2-(5-hexyl-2-methyl-phenyl)ethanoic acid Openeye Name: ethyl acetate; 2-(5-hexyl-2-methyl-phenyl)acetic acid CAS Name: acetic acid ethyl ester; 2-(5-hexyl-2-methylphenyl)acetic acid IUPAC Name: ethyl acetate; 2-(5-hexyl-2-methylphenyl)acetic acid Traditional Name: acetic acid ethyl ester; 2-(5-hexyl-2-methyl-phenyl)acetic acid Formula: C19H30O4 MolecularWeight: 322.4391

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)C)CC(=O)O.CCOC(=O)C

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)C)CC(=O)O.CCOC(=O)C

InChI

InChI=1S/C15H22O2.C4H8O2/c1-3-4-5-6-7-13-9-8-12(2)14(10-13)11-15(16)17;1-3-6-4(2)5/h8-10H,3-7,11H2,1-2H3,(H,16,17);3H2,1-2H3