[3,4-bis(hexanoylsulfanyl)-1-oxidanyl-butyl]phosphonic acid

Systemtic Name: [3,4-bis(hexanoylsulfanyl)-1-oxidanyl-butyl]phosphonic acid Openeye Name: [3,4-bis(hexanoylsulfanyl)-1-hydroxy-butyl]phosphonic acid CAS Name: [1-hydroxy-3,4-bis(1-oxohexylthio)butyl]phosphonic acid IUPAC Name: [3,4-bis(hexanoylsulfanyl)-1-hydroxybutyl]phosphonic acid Traditional Name: [3,4-bis(caproylthio)-1-hydroxy-butyl]phosphonic acid Formula: C16H31O6PS2 MolecularWeight: 414.517501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)SCC(CC(O)P(=O)(O)O)SC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)SCC(CC(O)P(=O)(O)O)SC(=O)CCCCC

InChI

InChI=1S/C16H31O6PS2/c1-3-5-7-9-15(18)24-12-13(11-14(17)23(20,21)22)25-16(19)10-8-6-4-2/h13-14,17H,3-12H2,1-2H3,(H2,20,21,22)