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3-butylphthalate

3-butylphthalate

Systemtic Name:3-butylphthalate
Openeye Name:3-butylphthalate
CAS Name:3-butylphthalate
IUPAC Name:3-butylphthalate
Traditional Name:3-butylphthalate
Formula: C12H12O4-2
MolecularWeight: 220.22128
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]


Isomeric SMILES

CCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C12H14O4/c1-2-3-5-8-6-4-7-9(11(13)14)10(8)12(15)16/h4,6-7H,2-3,5H2,1H3,(H,13,14)(H,15,16)/p-2


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