S-[(1S)-1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butyl] ethanethioate

Systemtic Name: S-[(1S)-1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butyl] ethanethioate Openeye Name: S-[(1S)-1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butyl] ethanethioate CAS Name: ethanethioic acid S-[(1S)-1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butyl] ester IUPAC Name: S-[(1S)-1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butyl] ethanethioate Traditional Name: ethanethioic acid S-[(1S)-1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butyl] ester Formula: C22H29O5PS MolecularWeight: 436.501421

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC=C(C=C1)OC2=CC=CC=C2)SC(=O)C)OCC

Isomeric SMILES

CCOP(=O)([C@H](CCCC1=CC=C(C=C1)OC2=CC=CC=C2)SC(=O)C)OCC

InChI

InChI=1S/C22H29O5PS/c1-4-25-28(24,26-5-2)22(29-18(3)23)13-9-10-19-14-16-21(17-15-19)27-20-11-7-6-8-12-20/h6-8,11-12,14-17,22H,4-5,9-10,13H2,1-3H3/t22-/m0/s1