3-propylphthalate

Systemtic Name: 3-propylphthalate Openeye Name: 3-propylphthalate CAS Name: 3-propylphthalate IUPAC Name: 3-propylphthalate Traditional Name: 3-propylphthalate Formula: C11H10O4-2 MolecularWeight: 206.1947

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H12O4/c1-2-4-7-5-3-6-8(10(12)13)9(7)11(14)15/h3,5-6H,2,4H2,1H3,(H,12,13)(H,14,15)/p-2