2-(4-phenylphenoxy)-3-phosphono-butanedioic acid

Systemtic Name: 2-(4-phenylphenoxy)-3-phosphono-butanedioic acid Openeye Name: 2-(4-phenylphenoxy)-3-phosphono-butanedioic acid CAS Name: 2-(4-phenylphenoxy)-3-phosphonobutanedioic acid IUPAC Name: 2-(4-phenylphenoxy)-3-phosphonobutanedioic acid Traditional Name: 2-(4-phenylphenoxy)-3-phosphono-succinic acid Formula: C16H15O8P MolecularWeight: 366.259261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C16H15O8P/c17-15(18)13(14(16(19)20)25(21,22)23)24-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H,(H,17,18)(H,19,20)(H2,21,22,23)