2-[2-(3-bromophenyl)-1-diethoxyphosphoryl-ethyl]-3-methyl-1-benzothiophene

Systemtic Name: 2-[2-(3-bromophenyl)-1-diethoxyphosphoryl-ethyl]-3-methyl-1-benzothiophene Openeye Name: 2-[2-(3-bromophenyl)-1-diethoxyphosphoryl-ethyl]-3-methyl-benzothiophene CAS Name: 2-[2-(3-bromophenyl)-1-diethoxyphosphorylethyl]-3-methyl-1-benzothiophene IUPAC Name: 2-[2-(3-bromophenyl)-1-diethoxyphosphorylethyl]-3-methyl-1-benzothiophene Traditional Name: 2-[2-(3-bromophenyl)-1-diethoxyphosphoryl-ethyl]-3-methyl-benzothiophene Formula: C21H24BrO3PS MolecularWeight: 467.356221

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=CC(=CC=C1)Br)C2=C(C3=CC=CC=C3S2)C)OCC

Isomeric SMILES

CCOP(=O)(C(CC1=CC(=CC=C1)Br)C2=C(C3=CC=CC=C3S2)C)OCC

InChI

InChI=1S/C21H24BrO3PS/c1-4-24-26(23,25-5-2)19(14-16-9-8-10-17(22)13-16)21-15(3)18-11-6-7-12-20(18)27-21/h6-13,19H,4-5,14H2,1-3H3