3-hexan-2-ylphthalate

Systemtic Name: 3-hexan-2-ylphthalate Openeye Name: 3-(1-methylpentyl)phthalate CAS Name: 3-hexan-2-ylphthalate IUPAC Name: 3-hexan-2-ylphthalate Traditional Name: 3-(1-methylpentyl)phthalate Formula: C14H16O4-2 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC(C)C1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H18O4/c1-3-4-6-9(2)10-7-5-8-11(13(15)16)12(10)14(17)18/h5,7-9H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/p-2