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methylbenzene; 2-methylbutane

methylbenzene; 2-methylbutane

Systemtic Name:methylbenzene; 2-methylbutane
Openeye Name:2-methylbutane; toluene
CAS Name:2-methylbutane; toluene
IUPAC Name:2-methylbutane; toluene
Traditional Name:isopentane; toluene
Formula: C12H20
MolecularWeight: 164.2872
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C.CC1=CC=CC=C1


Isomeric SMILES

CCC(C)C.CC1=CC=CC=C1


InChI

InChI=1S/C7H8.C5H12/c1-7-5-3-2-4-6-7;1-4-5(2)3/h2-6H,1H3;5H,4H2,1-3H3


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