heptan-2-one; methyl benzoate; octan-2-one; pentyl ethanoate; pentyl propanoate

Systemtic Name: heptan-2-one; methyl benzoate; octan-2-one; pentyl ethanoate; pentyl propanoate Openeye Name: heptan-2-one; methyl benzoate; octan-2-one; pentyl acetate; pentyl propanoate CAS Name: acetic acid pentyl ester; benzoic acid methyl ester; 2-heptanone; 2-octanone; propanoic acid pentyl ester IUPAC Name: heptan-2-one; methyl benzoate; octan-2-one; pentyl acetate; pentyl propanoate Traditional Name: acetic acid amyl ester; benzoic acid methyl ester; heptan-2-one; octan-2-one; propionic acid amyl ester Formula: C38H68O8 MolecularWeight: 652.94172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C.CCCCCC(=O)C.CCCCCOC(=O)C.CCCCCOC(=O)CC.COC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC(=O)C.CCCCCC(=O)C.CCCCCOC(=O)C.CCCCCOC(=O)CC.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C8H8O2.C8H16O2.C8H16O.C7H14O2.C7H14O/c1-10-8(9)7-5-3-2-4-6-7;1-3-5-6-7-10-8(9)4-2;1-3-4-5-6-7-8(2)9;1-3-4-5-6-9-7(2)8;1-3-4-5-6-7(2)8/h2-6H,1H3;3-7H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;3-6H2,1-2H3