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5-butoxybenzene-1,3-dicarboxylate

5-butoxybenzene-1,3-dicarboxylate

Systemtic Name:5-butoxybenzene-1,3-dicarboxylate
Openeye Name:5-butoxybenzene-1,3-dicarboxylate
CAS Name:5-butoxybenzene-1,3-dicarboxylate
IUPAC Name:5-butoxybenzene-1,3-dicarboxylate
Traditional Name:5-butoxyisophthalate
Formula: C12H12O5-2
MolecularWeight: 236.22068
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]


Isomeric SMILES

CCCCOC1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C12H14O5/c1-2-3-4-17-10-6-8(11(13)14)5-9(7-10)12(15)16/h5-7H,2-4H2,1H3,(H,13,14)(H,15,16)/p-2


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