2-phosphono-3-propylsulfanyl-butanedioic acid

Systemtic Name: 2-phosphono-3-propylsulfanyl-butanedioic acid Openeye Name: 2-phosphono-3-propylsulfanyl-butanedioic acid CAS Name: 2-phosphono-3-(propylthio)butanedioic acid IUPAC Name: 2-phosphono-3-propylsulfanylbutanedioic acid Traditional Name: 2-phosphono-3-(propylthio)succinic acid Formula: C7H13O7PS MolecularWeight: 272.212681

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

CCCSC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

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