2-[(4-cyanophenyl)methyl]-3-phosphono-butanedioic acid

Systemtic Name: 2-[(4-cyanophenyl)methyl]-3-phosphono-butanedioic acid Openeye Name: 2-[(4-cyanophenyl)methyl]-3-phosphono-butanedioic acid CAS Name: 2-[(4-cyanophenyl)methyl]-3-phosphonobutanedioic acid IUPAC Name: 2-[(4-cyanophenyl)methyl]-3-phosphonobutanedioic acid Traditional Name: 2-(4-cyanobenzyl)-3-phosphono-succinic acid Formula: C12H12NO7P MolecularWeight: 313.199941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(C(=O)O)P(=O)(O)O)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CC(C(C(=O)O)P(=O)(O)O)C(=O)O)C#N

InChI

InChI=1S/C12H12NO7P/c13-6-8-3-1-7(2-4-8)5-9(11(14)15)10(12(16)17)21(18,19)20/h1-4,9-10H,5H2,(H,14,15)(H,16,17)(H2,18,19,20)