hexane; methylbenzene; 2-methylpropan-2-ol

Systemtic Name: hexane; methylbenzene; 2-methylpropan-2-ol Openeye Name: hexane; 2-methylpropan-2-ol; toluene CAS Name: hexane; 2-methyl-2-propanol; toluene IUPAC Name: hexane; 2-methylpropan-2-ol; toluene Traditional Name: 2-methylpropan-2-ol; n-hexane; toluene Formula: C17H32O MolecularWeight: 252.43538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.C6H14.C4H10O/c1-7-5-3-2-4-6-7;1-3-5-6-4-2;1-4(2,3)5/h2-6H,1H3;3-6H2,1-2H3;5H,1-3H3