2-[4,4-bis(diethoxyphosphoryl)butyl-methyl-amino]-1-(5-bromanyl-1-benzofuran-2-yl)ethanol

Systemtic Name: 2-[4,4-bis(diethoxyphosphoryl)butyl-methyl-amino]-1-(5-bromanyl-1-benzofuran-2-yl)ethanol Openeye Name: 2-[4,4-bis(diethoxyphosphoryl)butyl-methyl-amino]-1-(5-bromobenzofuran-2-yl)ethanol CAS Name: 2-[4,4-bis(diethoxyphosphoryl)butyl-methylamino]-1-(5-bromo-2-benzofuranyl)ethanol IUPAC Name: 2-[4,4-bis(diethoxyphosphoryl)butyl-methylamino]-1-(5-bromo-1-benzofuran-2-yl)ethanol Traditional Name: 2-[4,4-bis(diethoxyphosphoryl)butyl-methyl-amino]-1-(5-bromobenzofuran-2-yl)ethanol Formula: C23H38BrNO8P2 MolecularWeight: 598.401242

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCN(C)CC(C1=CC2=C(O1)C=CC(=C2)Br)O)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(CCCN(C)CC(C1=CC2=C(O1)C=CC(=C2)Br)O)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C23H38BrNO8P2/c1-6-29-34(27,30-7-2)23(35(28,31-8-3)32-9-4)11-10-14-25(5)17-20(26)22-16-18-15-19(24)12-13-21(18)33-22/h12-13,15-16,20,23,26H,6-11,14,17H2,1-5H3