(4-butylphenyl)methyl (1E)-N-dibutoxyphosphorylethanimidothioate

Systemtic Name: (4-butylphenyl)methyl (1E)-N-dibutoxyphosphorylethanimidothioate Openeye Name: (4-butylphenyl)methyl (1E)-N-dibutoxyphosphorylethanimidothioate CAS Name: (1E)-N-dibutoxyphosphorylethanimidothioic acid (4-butylphenyl)methyl ester IUPAC Name: (4-butylphenyl)methyl (1E)-N-dibutoxyphosphorylethanimidothioate Traditional Name: (1E)-N-dibutoxyphosphorylthioacetimidic acid (4-butylbenzyl) ester Formula: C21H36NO3PS MolecularWeight: 413.554201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CSC(=NP(=O)(OCCCC)OCCCC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CS/C(=N/P(=O)(OCCCC)OCCCC)/C

InChI

InChI=1S/C21H36NO3PS/c1-5-8-11-20-12-14-21(15-13-20)18-27-19(4)22-26(23,24-16-9-6-2)25-17-10-7-3/h12-15H,5-11,16-18H2,1-4H3/b22-19+