2-(4-phosphonobutylsulfanyl)benzoic acid

Systemtic Name: 2-(4-phosphonobutylsulfanyl)benzoic acid Openeye Name: 2-(4-phosphonobutylsulfanyl)benzoic acid CAS Name: 2-(4-phosphonobutylthio)benzoic acid IUPAC Name: 2-(4-phosphonobutylsulfanyl)benzoic acid Traditional Name: 2-(4-phosphonobutylthio)benzoic acid Formula: C11H15O5PS MolecularWeight: 290.272561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCCCCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCCCCP(=O)(O)O

InChI

InChI=1S/C11H15O5PS/c12-11(13)9-5-1-2-6-10(9)18-8-4-3-7-17(14,15)16/h1-2,5-6H,3-4,7-8H2,(H,12,13)(H2,14,15,16)