cyclohexane; 1,3-dimethylbenzene; 1,4-dimethylbenzene; hexane

Systemtic Name: cyclohexane; 1,3-dimethylbenzene; 1,4-dimethylbenzene; hexane Openeye Name: cyclohexane; hexane; m-xylene; p-xylene CAS Name: cyclohexane; hexane; 1,3-xylene; 1,4-xylene IUPAC Name: cyclohexane; hexane; 1,3-xylene; 1,4-xylene Traditional Name: cyclohexane; m-xylene; n-hexane; p-xylene Formula: C28H46 MolecularWeight: 382.66484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CC1=CC=C(C=C1)C.CC1=CC(=CC=C1)C.C1CCCCC1

Isomeric SMILES

CCCCCC.CC1=CC=C(C=C1)C.CC1=CC(=CC=C1)C.C1CCCCC1

InChI

InChI=1S/2C8H10.C6H12.C6H14/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-2-4-6-5-3-1;1-3-5-6-4-2/h2*3-6H,1-2H3;1-6H2;3-6H2,1-2H3