benzoic acid; 4-methylbenzoic acid

Systemtic Name: benzoic acid; 4-methylbenzoic acid Openeye Name: benzoic acid; 4-methylbenzoic acid CAS Name: benzoic acid; 4-methylbenzoic acid IUPAC Name: benzoic acid; 4-methylbenzoic acid Traditional Name: benzoic acid; p-toluic acid Formula: C23H22O6 MolecularWeight: 394.41718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H8O2.C7H6O2/c2*1-6-2-4-7(5-3-6)8(9)10;8-7(9)6-4-2-1-3-5-6/h2*2-5H,1H3,(H,9,10);1-5H,(H,8,9)