2,4-dimethylbenzoic acid; 2-ethenyl-4,5-dimethyl-bicyclo[3.2.1]octa-3,6-diene

Systemtic Name: 2,4-dimethylbenzoic acid; 2-ethenyl-4,5-dimethyl-bicyclo[3.2.1]octa-3,6-diene Openeye Name: 2,4-dimethylbenzoic acid; 4,5-dimethyl-2-vinyl-bicyclo[3.2.1]octa-3,6-diene CAS Name: 2,4-dimethylbenzoic acid; 2-ethenyl-4,5-dimethylbicyclo[3.2.1]octa-3,6-diene IUPAC Name: 2,4-dimethylbenzoic acid; 2-ethenyl-4,5-dimethylbicyclo[3.2.1]octa-3,6-diene Traditional Name: 4,5-dimethyl-2-vinyl-bicyclo[3.2.1]octa-3,6-diene; 2,4-xylic acid Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)C.CC1=CC(C2CC1(C=C2)C)C=C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)C.CC1=CC(C2CC1(C=C2)C)C=C

InChI

InChI=1S/C12H16.C9H10O2/c1-4-10-7-9(2)12(3)6-5-11(10)8-12;1-6-3-4-8(9(10)11)7(2)5-6/h4-7,10-11H,1,8H2,2-3H3;3-5H,1-2H3,(H,10,11)