[3-[methyl(3-phenylpropyl)sulfonio]-1-oxidanyl-1-phosphono-propyl]-oxidanyl-phosphinate

Systemtic Name: [3-[methyl(3-phenylpropyl)sulfonio]-1-oxidanyl-1-phosphono-propyl]-oxidanyl-phosphinate Openeye Name: hydroxy-[1-hydroxy-3-[methyl(3-phenylpropyl)sulfonio]-1-phosphono-propyl]phosphinate CAS Name: hydroxy-[1-hydroxy-3-[methyl(3-phenylpropyl)sulfonio]-1-phosphonopropyl]phosphinate IUPAC Name: hydroxy-[1-hydroxy-3-[methyl(3-phenylpropyl)sulfonio]-1-phosphonopropyl]phosphinate Traditional Name: hydroxy-[1-hydroxy-3-[methyl(3-phenylpropyl)sulfonio]-1-phosphono-propyl]phosphinate Formula: C13H22O7P2S MolecularWeight: 384.322102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCCC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

C[S+](CCCC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C13H22O7P2S/c1-23(10-5-8-12-6-3-2-4-7-12)11-9-13(14,21(15,16)17)22(18,19)20/h2-4,6-7,14H,5,8-11H2,1H3,(H3-,15,16,17,18,19,20)