[2-bromanyl-4-[[(E)-3-phenylprop-2-enyl]sulfanylmethyl]phenyl]phosphonic acid

Systemtic Name: [2-bromanyl-4-[[(E)-3-phenylprop-2-enyl]sulfanylmethyl]phenyl]phosphonic acid Openeye Name: [2-bromo-4-[[(E)-cinnamyl]sulfanylmethyl]phenyl]phosphonic acid CAS Name: [2-bromo-4-[[[(E)-3-phenylprop-2-enyl]thio]methyl]phenyl]phosphonic acid IUPAC Name: [2-bromo-4-[[(E)-3-phenylprop-2-enyl]sulfanylmethyl]phenyl]phosphonic acid Traditional Name: [2-bromo-4-[[[(E)-cinnamyl]thio]methyl]phenyl]phosphonic acid Formula: C16H16BrO3PS MolecularWeight: 399.239201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSCC2=CC(=C(C=C2)P(=O)(O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSCC2=CC(=C(C=C2)P(=O)(O)O)Br

InChI

InChI=1S/C16H16BrO3PS/c17-15-11-14(8-9-16(15)21(18,19)20)12-22-10-4-7-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H2,18,19,20)/b7-4+