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phthalate benzoate

phthalate benzoate

Systemtic Name:phthalate benzoate
Openeye Name:phthalate benzoate
CAS Name:phthalate benzoate
IUPAC Name:phthalate benzoate
Traditional Name:phthalate benzoate
Formula: C15H9O6-3
MolecularWeight: 285.22836
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C8H6O4.C7H6O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;8-7(9)6-4-2-1-3-5-6/h1-4H,(H,9,10)(H,11,12);1-5H,(H,8,9)/p-3


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