sodium 3-butan-2-yloxycarbonylphthalate

Systemtic Name: sodium 3-butan-2-yloxycarbonylphthalate Openeye Name: sodium 3-sec-butoxycarbonylphthalate CAS Name: sodium 3-[butan-2-yloxy(oxo)methyl]phthalate IUPAC Name: sodium 3-butan-2-yloxycarbonylphthalate Traditional Name: sodium 3-sec-butoxycarbonylphthalate Formula: C13H12NaO6- MolecularWeight: 287.22055

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=CC=CC(=C1C(=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)OC(=O)C1=CC=CC(=C1C(=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C13H14O6.Na/c1-3-7(2)19-13(18)9-6-4-5-8(11(14)15)10(9)12(16)17;/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17);/q;+1/p-2