1,4-dimethylbenzene; 4-methylbenzaldehyde; 4-methylbenzoic acid

Systemtic Name: 1,4-dimethylbenzene; 4-methylbenzaldehyde; 4-methylbenzoic acid Openeye Name: 4-methylbenzaldehyde; 4-methylbenzoic acid; p-xylene CAS Name: 4-methylbenzaldehyde; 4-methylbenzoic acid; 1,4-xylene IUPAC Name: 4-methylbenzaldehyde; 4-methylbenzoic acid; 1,4-xylene Traditional Name: 4-methylbenzaldehyde; p-toluic acid; p-xylene Formula: C24H26O3 MolecularWeight: 362.46144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O2.C8H8O.C8H10/c1-6-2-4-7(5-3-6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(2)6-4-7/h2-5H,1H3,(H,9,10);2-6H,1H3;3-6H,1-2H3