3-nonan-5-ylphthalate

Systemtic Name: 3-nonan-5-ylphthalate Openeye Name: 3-(1-butylpentyl)phthalate CAS Name: 3-nonan-5-ylphthalate IUPAC Name: 3-nonan-5-ylphthalate Traditional Name: 3-(1-butylpentyl)phthalate Formula: C17H22O4-2 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O4/c1-3-5-8-12(9-6-4-2)13-10-7-11-14(16(18)19)15(13)17(20)21/h7,10-12H,3-6,8-9H2,1-2H3,(H,18,19)(H,20,21)/p-2