[(2-cyclohexylsulfanyl-5-nitro-phenyl)-oxidanyl-methyl]phosphonic acid

Systemtic Name: [(2-cyclohexylsulfanyl-5-nitro-phenyl)-oxidanyl-methyl]phosphonic acid Openeye Name: [(2-cyclohexylsulfanyl-5-nitro-phenyl)-hydroxy-methyl]phosphonic acid CAS Name: [[2-(cyclohexylthio)-5-nitrophenyl]-hydroxymethyl]phosphonic acid IUPAC Name: [(2-cyclohexylsulfanyl-5-nitrophenyl)-hydroxymethyl]phosphonic acid Traditional Name: [[2-(cyclohexylthio)-5-nitro-phenyl]-hydroxy-methyl]phosphonic acid Formula: C13H18NO6PS MolecularWeight: 347.323881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O

Isomeric SMILES

C1CCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O

InChI

InChI=1S/C13H18NO6PS/c15-13(21(18,19)20)11-8-9(14(16)17)6-7-12(11)22-10-4-2-1-3-5-10/h6-8,10,13,15H,1-5H2,(H2,18,19,20)