ethanoic acid; methanol; methylbenzene; 4-methylpentan-2-one

Systemtic Name: ethanoic acid; methanol; methylbenzene; 4-methylpentan-2-one Openeye Name: acetic acid; methanol; 4-methylpentan-2-one; toluene CAS Name: acetic acid; methanol; 4-methyl-2-pentanone; toluene IUPAC Name: acetic acid; methanol; 4-methylpentan-2-one; toluene Traditional Name: acetic acid; methanol; 4-methylpentan-2-one; toluene Formula: C16H28O4 MolecularWeight: 284.39112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(C)CC(=O)C.CC(=O)O.CO

Isomeric SMILES

CC1=CC=CC=C1.CC(C)CC(=O)C.CC(=O)O.CO

InChI

InChI=1S/C7H8.C6H12O.C2H4O2.CH4O/c1-7-5-3-2-4-6-7;1-5(2)4-6(3)7;1-2(3)4;1-2/h2-6H,1H3;5H,4H2,1-3H3;1H3,(H,3,4);2H,1H3