2-[2-[2,6-bis(chloranyl)phenyl]-1-diethoxyphosphoryl-ethyl]-3-methyl-1-benzothiophene

Systemtic Name: 2-[2-[2,6-bis(chloranyl)phenyl]-1-diethoxyphosphoryl-ethyl]-3-methyl-1-benzothiophene Openeye Name: 2-[2-(2,6-dichlorophenyl)-1-diethoxyphosphoryl-ethyl]-3-methyl-benzothiophene CAS Name: 2-[2-(2,6-dichlorophenyl)-1-diethoxyphosphorylethyl]-3-methyl-1-benzothiophene IUPAC Name: 2-[2-(2,6-dichlorophenyl)-1-diethoxyphosphorylethyl]-3-methyl-1-benzothiophene Traditional Name: 2-[2-(2,6-dichlorophenyl)-1-diethoxyphosphoryl-ethyl]-3-methyl-benzothiophene Formula: C21H23Cl2O3PS MolecularWeight: 457.350281

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=C(C=CC=C1Cl)Cl)C2=C(C3=CC=CC=C3S2)C)OCC

Isomeric SMILES

CCOP(=O)(C(CC1=C(C=CC=C1Cl)Cl)C2=C(C3=CC=CC=C3S2)C)OCC

InChI

InChI=1S/C21H23Cl2O3PS/c1-4-25-27(24,26-5-2)19(13-16-17(22)10-8-11-18(16)23)21-14(3)15-9-6-7-12-20(15)28-21/h6-12,19H,4-5,13H2,1-3H3