butane; phthalate

Systemtic Name: butane; phthalate Openeye Name: butane; phthalate CAS Name: butane; phthalate IUPAC Name: butane; phthalate Traditional Name: n-butane; phthalate Formula: C52H34O24-12 MolecularWeight: 1042.81196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C8H6O4.C4H10/c6*9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-4-2/h6*1-4H,(H,9,10)(H,11,12);3-4H2,1-2H3/p-12