cyclohexane; 3,4-dimethylphthalate

Systemtic Name: cyclohexane; 3,4-dimethylphthalate Openeye Name: cyclohexane; 3,4-dimethylphthalate CAS Name: cyclohexane; 3,4-dimethylphthalate IUPAC Name: cyclohexane; 3,4-dimethylphthalate Traditional Name: cyclohexane; 3,4-dimethylphthalate Formula: C16H20O4-2 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C.C1CCCCC1

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C.C1CCCCC1

InChI

InChI=1S/C10H10O4.C6H12/c1-5-3-4-7(9(11)12)8(6(5)2)10(13)14;1-2-4-6-5-3-1/h3-4H,1-2H3,(H,11,12)(H,13,14);1-6H2/p-2