ethyl 2-[4-bis(phenylmethoxy)phosphoryloxybutyl]-1,3-dithiane-2-carboxylate

Systemtic Name: ethyl 2-[4-bis(phenylmethoxy)phosphoryloxybutyl]-1,3-dithiane-2-carboxylate Openeye Name: ethyl 2-(4-dibenzyloxyphosphoryloxybutyl)-1,3-dithiane-2-carboxylate CAS Name: 2-[4-bis(phenylmethoxy)phosphoryloxybutyl]-1,3-dithiane-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-bis(phenylmethoxy)phosphoryloxybutyl]-1,3-dithiane-2-carboxylate Traditional Name: 2-(4-dibenzoxyphosphoryloxybutyl)-1,3-dithiane-2-carboxylic acid ethyl ester Formula: C25H33O6PS2 MolecularWeight: 524.629681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(SCCCS1)CCCCOP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(SCCCS1)CCCCOP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H33O6PS2/c1-2-28-24(26)25(33-18-11-19-34-25)16-9-10-17-29-32(27,30-20-22-12-5-3-6-13-22)31-21-23-14-7-4-8-15-23/h3-8,12-15H,2,9-11,16-21H2,1H3