[(1S,3S)-1-bromanyl-4-hexadecanoyloxy-3-oxidanyl-butyl]phosphonic acid

Systemtic Name: [(1S,3S)-1-bromanyl-4-hexadecanoyloxy-3-oxidanyl-butyl]phosphonic acid Openeye Name: [(1S,3S)-1-bromo-4-hexadecanoyloxy-3-hydroxy-butyl]phosphonic acid CAS Name: [(1S,3S)-1-bromo-3-hydroxy-4-(1-oxohexadecoxy)butyl]phosphonic acid IUPAC Name: [(1S,3S)-1-bromo-4-hexadecanoyloxy-3-hydroxybutyl]phosphonic acid Traditional Name: [(1S,3S)-1-bromo-4-hexadecanoyloxy-3-hydroxy-butyl]phosphonic acid Formula: C20H40BrO6P MolecularWeight: 487.405761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CC(P(=O)(O)O)Br)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](C[C@@H](P(=O)(O)O)Br)O

InChI

InChI=1S/C20H40BrO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)27-17-18(22)16-19(21)28(24,25)26/h18-19,22H,2-17H2,1H3,(H2,24,25,26)/t18-,19+/m0/s1