butane; 2-phenylpropanedioic acid

Systemtic Name: butane; 2-phenylpropanedioic acid Openeye Name: butane; 2-phenylpropanedioic acid CAS Name: butane; 2-phenylpropanedioic acid IUPAC Name: butane; 2-phenylpropanedioic acid Traditional Name: n-butane; 2-phenylmalonic acid Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC=C(C=C1)C(C(=O)O)C(=O)O

Isomeric SMILES

CCCC.C1=CC=C(C=C1)C(C(=O)O)C(=O)O

InChI

InChI=1S/C9H8O4.C4H10/c10-8(11)7(9(12)13)6-4-2-1-3-5-6;1-3-4-2/h1-5,7H,(H,10,11)(H,12,13);3-4H2,1-2H3