2-[(3-chlorophenyl)methyl]-3-phosphono-butanedioic acid

Systemtic Name: 2-[(3-chlorophenyl)methyl]-3-phosphono-butanedioic acid Openeye Name: 2-[(3-chlorophenyl)methyl]-3-phosphono-butanedioic acid CAS Name: 2-[(3-chlorophenyl)methyl]-3-phosphonobutanedioic acid IUPAC Name: 2-[(3-chlorophenyl)methyl]-3-phosphonobutanedioic acid Traditional Name: 2-(3-chlorobenzyl)-3-phosphono-succinic acid Formula: C11H12ClO7P MolecularWeight: 322.635541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C11H12ClO7P/c12-7-3-1-2-6(4-7)5-8(10(13)14)9(11(15)16)20(17,18)19/h1-4,8-9H,5H2,(H,13,14)(H,15,16)(H2,17,18,19)