hexyl N-[1-(3-methylsulfanylphenyl)-2-phosphonooxy-propyl]carbamate

Systemtic Name: hexyl N-[1-(3-methylsulfanylphenyl)-2-phosphonooxy-propyl]carbamate Openeye Name: hexyl N-[1-(3-methylsulfanylphenyl)-2-phosphonooxy-propyl]carbamate CAS Name: N-[1-[3-(methylthio)phenyl]-2-phosphonooxypropyl]carbamic acid hexyl ester IUPAC Name: hexyl N-[1-(3-methylsulfanylphenyl)-2-phosphonooxypropyl]carbamate Traditional Name: N-[1-[3-(methylthio)phenyl]-2-phosphonooxy-propyl]carbamic acid hexyl ester Formula: C17H28NO6PS MolecularWeight: 405.446081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)NC(C1=CC(=CC=C1)SC)C(C)OP(=O)(O)O

Isomeric SMILES

CCCCCCOC(=O)NC(C1=CC(=CC=C1)SC)C(C)OP(=O)(O)O

InChI

InChI=1S/C17H28NO6PS/c1-4-5-6-7-11-23-17(19)18-16(13(2)24-25(20,21)22)14-9-8-10-15(12-14)26-3/h8-10,12-13,16H,4-7,11H2,1-3H3,(H,18,19)(H2,20,21,22)