methylbenzene; 1-methyl-4-propan-2-yl-benzene; prop-1-ene

Systemtic Name: methylbenzene; 1-methyl-4-propan-2-yl-benzene; prop-1-ene Openeye Name: 1-isopropyl-4-methyl-benzene; prop-1-ene; toluene CAS Name: 1-methyl-4-propan-2-ylbenzene; 1-propene; toluene IUPAC Name: 1-methyl-4-propan-2-ylbenzene; prop-1-ene; toluene Traditional Name: p-cymene; prop-1-ene; toluene Formula: C20H28 MolecularWeight: 268.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14.C7H8.C3H6/c1-8(2)10-6-4-9(3)5-7-10;1-7-5-3-2-4-6-7;1-3-2/h4-8H,1-3H3;2-6H,1H3;3H,1H2,2H3