3-hexylphthalate

Systemtic Name: 3-hexylphthalate Openeye Name: 3-hexylphthalate CAS Name: 3-hexylphthalate IUPAC Name: 3-hexylphthalate Traditional Name: 3-hexylphthalate Formula: C14H16O4-2 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H18O4/c1-2-3-4-5-7-10-8-6-9-11(13(15)16)12(10)14(17)18/h6,8-9H,2-5,7H2,1H3,(H,15,16)(H,17,18)/p-2