2-phosphono-3-(propylsulfanylmethyl)butanedioic acid

Systemtic Name: 2-phosphono-3-(propylsulfanylmethyl)butanedioic acid Openeye Name: 2-phosphono-3-(propylsulfanylmethyl)butanedioic acid CAS Name: 2-phosphono-3-[(propylthio)methyl]butanedioic acid IUPAC Name: 2-phosphono-3-(propylsulfanylmethyl)butanedioic acid Traditional Name: 2-phosphono-3-[(propylthio)methyl]succinic acid Formula: C8H15O7PS MolecularWeight: 286.239261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

CCCSCC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C8H15O7PS/c1-2-3-17-4-5(7(9)10)6(8(11)12)16(13,14)15/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)(H2,13,14,15)