2-(phenylsulfanylmethyl)-3-phosphono-butanedioic acid

Systemtic Name: 2-(phenylsulfanylmethyl)-3-phosphono-butanedioic acid Openeye Name: 2-(phenylsulfanylmethyl)-3-phosphono-butanedioic acid CAS Name: 2-[(phenylthio)methyl]-3-phosphonobutanedioic acid IUPAC Name: 2-(phenylsulfanylmethyl)-3-phosphonobutanedioic acid Traditional Name: 2-[(phenylthio)methyl]-3-phosphono-succinic acid Formula: C11H13O7PS MolecularWeight: 320.255481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13O7PS/c12-10(13)8(9(11(14)15)19(16,17)18)6-20-7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,12,13)(H,14,15)(H2,16,17,18)