isocyanatoethane; 3-phenylphthalic acid

Systemtic Name: isocyanatoethane; 3-phenylphthalic acid Openeye Name: isocyanatoethane; 3-phenylphthalic acid CAS Name: isocyanatoethane; 3-phenylphthalic acid IUPAC Name: isocyanatoethane; 3-phenylphthalic acid Traditional Name: isocyanatoethane; 3-phenylphthalic acid Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C=O.C1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCN=C=O.C1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H10O4.C3H5NO/c15-13(16)11-8-4-7-10(12(11)14(17)18)9-5-2-1-3-6-9;1-2-4-3-5/h1-8H,(H,15,16)(H,17,18);2H2,1H3