(4-hexylphenyl)methyl (1E)-N-dihexoxyphosphorylethanimidothioate

Systemtic Name: (4-hexylphenyl)methyl (1E)-N-dihexoxyphosphorylethanimidothioate Openeye Name: (4-hexylphenyl)methyl (1E)-N-dihexoxyphosphorylethanimidothioate CAS Name: (1E)-N-dihexoxyphosphorylethanimidothioic acid (4-hexylphenyl)methyl ester IUPAC Name: (4-hexylphenyl)methyl (1E)-N-dihexoxyphosphorylethanimidothioate Traditional Name: (1E)-N-dihexoxyphosphorylthioacetimidic acid (4-hexylbenzyl) ester Formula: C27H48NO3PS MolecularWeight: 497.713681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CSC(=NP(=O)(OCCCCCC)OCCCCCC)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CS/C(=N/P(=O)(OCCCCCC)OCCCCCC)/C

InChI

InChI=1S/C27H48NO3PS/c1-5-8-11-14-17-26-18-20-27(21-19-26)24-33-25(4)28-32(29,30-22-15-12-9-6-2)31-23-16-13-10-7-3/h18-21H,5-17,22-24H2,1-4H3/b28-25+