cycloheptane; 1,3-dimethylbenzene; heptane; hept-1-ene

Systemtic Name: cycloheptane; 1,3-dimethylbenzene; heptane; hept-1-ene Openeye Name: cycloheptane; heptane; hept-1-ene; m-xylene CAS Name: cycloheptane; heptane; 1-heptene; 1,3-xylene IUPAC Name: cycloheptane; heptane; hept-1-ene; 1,3-xylene Traditional Name: cycloheptane; hept-1-ene; m-xylene; n-heptane Formula: C29H54 MolecularWeight: 402.73906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC.CCCCCC=C.CC1=CC(=CC=C1)C.C1CCCCCC1

Isomeric SMILES

CCCCCCC.CCCCCC=C.CC1=CC(=CC=C1)C.C1CCCCCC1

InChI

InChI=1S/C8H10.C7H14.C7H16.C7H14/c1-7-4-3-5-8(2)6-7;1-2-4-6-7-5-3-1;2*1-3-5-7-6-4-2/h3-6H,1-2H3;1-7H2;3-7H2,1-2H3;3H,1,4-7H2,2H3