[[2-[2-(4-methylphenyl)ethylsulfanyl]-5-nitro-phenyl]-oxidanyl-methyl]phosphonic acid

Systemtic Name: [[2-[2-(4-methylphenyl)ethylsulfanyl]-5-nitro-phenyl]-oxidanyl-methyl]phosphonic acid Openeye Name: [hydroxy-[5-nitro-2-[2-(p-tolyl)ethylsulfanyl]phenyl]methyl]phosphonic acid CAS Name: [hydroxy-[2-[2-(4-methylphenyl)ethylthio]-5-nitrophenyl]methyl]phosphonic acid IUPAC Name: [hydroxy-[2-[2-(4-methylphenyl)ethylsulfanyl]-5-nitrophenyl]methyl]phosphonic acid Traditional Name: [hydroxy-[5-nitro-2-[2-(p-tolyl)ethylthio]phenyl]methyl]phosphonic acid Formula: C16H18NO6PS MolecularWeight: 383.355981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCSC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCSC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O

InChI

InChI=1S/C16H18NO6PS/c1-11-2-4-12(5-3-11)8-9-25-15-7-6-13(17(19)20)10-14(15)16(18)24(21,22)23/h2-7,10,16,18H,8-9H2,1H3,(H2,21,22,23)