3-(1,2-dimethylcyclohexyl)phthalic acid

Systemtic Name: 3-(1,2-dimethylcyclohexyl)phthalic acid Openeye Name: 3-(1,2-dimethylcyclohexyl)phthalic acid CAS Name: 3-(1,2-dimethylcyclohexyl)phthalic acid IUPAC Name: 3-(1,2-dimethylcyclohexyl)phthalic acid Traditional Name: 3-(1,2-dimethylcyclohexyl)phthalic acid Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1(C)C2=CC=CC(=C2C(=O)O)C(=O)O

Isomeric SMILES

CC1CCCCC1(C)C2=CC=CC(=C2C(=O)O)C(=O)O

InChI

InChI=1S/C16H20O4/c1-10-6-3-4-9-16(10,2)12-8-5-7-11(14(17)18)13(12)15(19)20/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,17,18)(H,19,20)