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3-pentylphthalate

3-pentylphthalate

Systemtic Name:3-pentylphthalate
Openeye Name:3-pentylphthalate
CAS Name:3-pentylphthalate
IUPAC Name:3-pentylphthalate
Traditional Name:3-amylphthalate
Formula: C13H14O4-2
MolecularWeight: 234.24786
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]


Isomeric SMILES

CCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C13H16O4/c1-2-3-4-6-9-7-5-8-10(12(14)15)11(9)13(16)17/h5,7-8H,2-4,6H2,1H3,(H,14,15)(H,16,17)/p-2


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