2-ethylbutanoate; phthalic acid

Systemtic Name: 2-ethylbutanoate; phthalic acid Openeye Name: 2-ethylbutanoate; phthalic acid CAS Name: 2-ethylbutanoate; phthalic acid IUPAC Name: 2-ethylbutanoate; phthalic acid Traditional Name: 2-ethylbutyrate; phthalic acid Formula: C14H17O6- MolecularWeight: 281.28118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C6H12O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-5(4-2)6(7)8/h1-4H,(H,9,10)(H,11,12);5H,3-4H2,1-2H3,(H,7,8)/p-1