butan-2-one; butyl ethanoate; cyclohexanone; methylbenzene

Systemtic Name: butan-2-one; butyl ethanoate; cyclohexanone; methylbenzene Openeye Name: butan-2-one; butyl acetate; cyclohexanone; toluene CAS Name: acetic acid butyl ester; 2-butanone; cyclohexanone; toluene IUPAC Name: butan-2-one; butyl acetate; cyclohexanone; toluene Traditional Name: acetic acid butyl ester; butan-2-one; cyclohexanone; toluene Formula: C23H38O4 MolecularWeight: 378.54542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C.CCC(=O)C.CC1=CC=CC=C1.C1CCC(=O)CC1

Isomeric SMILES

CCCCOC(=O)C.CCC(=O)C.CC1=CC=CC=C1.C1CCC(=O)CC1

InChI

InChI=1S/C7H8.C6H12O2.C6H10O.C4H8O/c1-7-5-3-2-4-6-7;1-3-4-5-8-6(2)7;7-6-4-2-1-3-5-6;1-3-4(2)5/h2-6H,1H3;3-5H2,1-2H3;1-5H2;3H2,1-2H3