cyclohexane; phthalate

Systemtic Name: cyclohexane; phthalate Openeye Name: cyclohexane; phthalate CAS Name: cyclohexane; phthalate IUPAC Name: cyclohexane; phthalate Traditional Name: cyclohexane; phthalate Formula: C20H28O4-2 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.2C6H12/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-2-4-6-5-3-1/h1-4H,(H,9,10)(H,11,12);2*1-6H2/p-2