5-tert-butyl-2-[4-(4-diethoxyphosphorylbut-1-ynyl)phenyl]-1,3-dithiane

Systemtic Name: 5-tert-butyl-2-[4-(4-diethoxyphosphorylbut-1-ynyl)phenyl]-1,3-dithiane Openeye Name: 5-tert-butyl-2-[4-(4-diethoxyphosphorylbut-1-ynyl)phenyl]-1,3-dithiane CAS Name: 5-tert-butyl-2-[4-(4-diethoxyphosphorylbut-1-ynyl)phenyl]-1,3-dithiane IUPAC Name: 5-tert-butyl-2-[4-(4-diethoxyphosphorylbut-1-ynyl)phenyl]-1,3-dithiane Traditional Name: 5-tert-butyl-2-[4-(4-diethoxyphosphorylbut-1-ynyl)phenyl]-1,3-dithiane Formula: C22H33O3PS2 MolecularWeight: 440.599381

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC#CC1=CC=C(C=C1)C2SCC(CS2)C(C)(C)C)OCC

Isomeric SMILES

CCOP(=O)(CCC#CC1=CC=C(C=C1)C2SCC(CS2)C(C)(C)C)OCC

InChI

InChI=1S/C22H33O3PS2/c1-6-24-26(23,25-7-2)15-9-8-10-18-11-13-19(14-12-18)21-27-16-20(17-28-21)22(3,4)5/h11-14,20-21H,6-7,9,15-17H2,1-5H3