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

Systemtic Name: 2-(ethylsulfanylmethyl)-3-phosphono-butanedioic acid Openeye Name: 2-(ethylsulfanylmethyl)-3-phosphono-butanedioic acid CAS Name: 2-[(ethylthio)methyl]-3-phosphonobutanedioic acid IUPAC Name: 2-(ethylsulfanylmethyl)-3-phosphonobutanedioic acid Traditional Name: 2-[(ethylthio)methyl]-3-phosphono-succinic acid Formula: C7H13O7PS MolecularWeight: 272.212681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

CCSCC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C7H13O7PS/c1-2-16-3-4(6(8)9)5(7(10)11)15(12,13)14/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)