benzoic acid; 3-methylbut-2-enoic acid

Systemtic Name: benzoic acid; 3-methylbut-2-enoic acid Openeye Name: benzoic acid; 3-methylbut-2-enoic acid CAS Name: benzoic acid; 3-methyl-2-butenoic acid IUPAC Name: benzoic acid; 3-methylbut-2-enoic acid Traditional Name: benzoic acid; 3-methylbut-2-enoic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C5H8O2/c8-7(9)6-4-2-1-3-5-6;1-4(2)3-5(6)7/h1-5H,(H,8,9);3H,1-2H3,(H,6,7)