(1S)-2-bromanyl-1-[methoxy(prop-1-ynyl)phosphoryl]-1-(4-nitrophenyl)ethanol

Systemtic Name: (1S)-2-bromanyl-1-[methoxy(prop-1-ynyl)phosphoryl]-1-(4-nitrophenyl)ethanol Openeye Name: (1S)-2-bromo-1-[methoxy(prop-1-ynyl)phosphoryl]-1-(4-nitrophenyl)ethanol CAS Name: (1S)-2-bromo-1-[methoxy(prop-1-ynyl)phosphoryl]-1-(4-nitrophenyl)ethanol IUPAC Name: (1S)-2-bromo-1-[methoxy(prop-1-ynyl)phosphoryl]-1-(4-nitrophenyl)ethanol Traditional Name: (1S)-2-bromo-1-[methoxy(prop-1-ynyl)phosphoryl]-1-(4-nitrophenyl)ethanol Formula: C12H13BrNO5P MolecularWeight: 362.113081

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Descriptors Computed from Structure

Canonical SMILES:

CC#CP(=O)(C(CBr)(C1=CC=C(C=C1)[N+](=O)[O-])O)OC

Isomeric SMILES

CC#C[P@](=O)([C@](CBr)(C1=CC=C(C=C1)[N+](=O)[O-])O)OC

InChI

InChI=1S/C12H13BrNO5P/c1-3-8-20(18,19-2)12(15,9-13)10-4-6-11(7-5-10)14(16)17/h4-7,15H,9H2,1-2H3/t12-,20-/m1/s1