N-[(Z)-2-[(2-ethylphenyl)methylsulfanyl]hex-2-en-3-yl]-hexoxy-phosphonamidic acid

Systemtic Name: N-[(Z)-2-[(2-ethylphenyl)methylsulfanyl]hex-2-en-3-yl]-hexoxy-phosphonamidic acid Openeye Name: N-[(1Z)-1-[1-[(2-ethylphenyl)methylsulfanyl]ethylidene]butyl]-hexoxy-phosphonamidic acid CAS Name: N-[(Z)-2-[(2-ethylphenyl)methylthio]hex-2-en-3-yl]-hexoxyphosphonamidic acid IUPAC Name: N-[(Z)-2-[(2-ethylphenyl)methylsulfanyl]hex-2-en-3-yl]-hexoxyphosphonamidic acid Traditional Name: N-[(Z)-2-[(2-ethylbenzyl)thio]-1-propyl-prop-1-enyl]-hexoxy-phosphonamidic acid Formula: C21H36NO3PS MolecularWeight: 413.554201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOP(=O)(NC(=C(C)SCC1=CC=CC=C1CC)CCC)O

Isomeric SMILES

CCCCCCOP(=O)(N/C(=C(/C)\SCC1=CC=CC=C1CC)/CCC)O

InChI

InChI=1S/C21H36NO3PS/c1-5-8-9-12-16-25-26(23,24)22-21(13-6-2)18(4)27-17-20-15-11-10-14-19(20)7-3/h10-11,14-15H,5-9,12-13,16-17H2,1-4H3,(H2,22,23,24)/b21-18-