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3-pentan-3-ylphthalate

3-pentan-3-ylphthalate

Systemtic Name:3-pentan-3-ylphthalate
Openeye Name:3-(1-ethylpropyl)phthalate
CAS Name:3-pentan-3-ylphthalate
IUPAC Name:3-pentan-3-ylphthalate
Traditional Name:3-(1-ethylpropyl)phthalate
Formula: C13H14O4-2
MolecularWeight: 234.24786
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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