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azane; 4-butylphthalic acid

azane; 4-butylphthalic acid

Systemtic Name:azane; 4-butylphthalic acid
Openeye Name:ammonia; 4-butylphthalic acid
CAS Name:ammonia; 4-butylphthalic acid
IUPAC Name:azane; 4-butylphthalic acid
Traditional Name:ammonia; 4-butylphthalic acid
Formula: C12H17NO4
MolecularWeight: 239.26768
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C(=O)O)C(=O)O.N


Isomeric SMILES

CCCCC1=CC(=C(C=C1)C(=O)O)C(=O)O.N


InChI

InChI=1S/C12H14O4.H3N/c1-2-3-4-8-5-6-9(11(13)14)10(7-8)12(15)16;/h5-7H,2-4H2,1H3,(H,13,14)(H,15,16);1H3


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