methylsulfanyl (2-methylsulfanyl-4-octyl-phenyl) hydrogen phosphate

Systemtic Name: methylsulfanyl (2-methylsulfanyl-4-octyl-phenyl) hydrogen phosphate Openeye Name: methylsulfanyl (2-methylsulfanyl-4-octyl-phenyl) hydrogen phosphate CAS Name: methanesulfenic acid [hydroxy-[2-(methylthio)-4-octylphenoxy]phosphoryl] ester IUPAC Name: methylsulfanyl (2-methylsulfanyl-4-octylphenyl) hydrogen phosphate Traditional Name: (methylthio) [2-(methylthio)-4-octyl-phenyl] hydrogen phosphate Formula: C16H27O4PS2 MolecularWeight: 378.486941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OP(=O)(O)OSC)SC

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OP(=O)(O)OSC)SC

InChI

InChI=1S/C16H27O4PS2/c1-4-5-6-7-8-9-10-14-11-12-15(16(13-14)22-2)19-21(17,18)20-23-3/h11-13H,4-10H2,1-3H3,(H,17,18)