2-ethylsulfanyl-3-phosphono-butanedioic acid

Systemtic Name: 2-ethylsulfanyl-3-phosphono-butanedioic acid Openeye Name: 2-ethylsulfanyl-3-phosphono-butanedioic acid CAS Name: 2-(ethylthio)-3-phosphonobutanedioic acid IUPAC Name: 2-ethylsulfanyl-3-phosphonobutanedioic acid Traditional Name: 2-(ethylthio)-3-phosphono-succinic acid Formula: C6H11O7PS MolecularWeight: 258.186101

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

CCSC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C6H11O7PS/c1-2-15-4(6(9)10)3(5(7)8)14(11,12)13/h3-4H,2H2,1H3,(H,7,8)(H,9,10)(H2,11,12,13)