sodium [(3S)-1-bromanyl-4-hexadecanoyloxy-3-oxidanyl-butyl]-oxidanyl-phosphinate

Systemtic Name: sodium [(3S)-1-bromanyl-4-hexadecanoyloxy-3-oxidanyl-butyl]-oxidanyl-phosphinate Openeye Name: sodium [(3S)-1-bromo-4-hexadecanoyloxy-3-hydroxy-butyl]-hydroxy-phosphinate CAS Name: sodium [(3S)-1-bromo-3-hydroxy-4-(1-oxohexadecoxy)butyl]-hydroxyphosphinate IUPAC Name: sodium [(3S)-1-bromo-4-hexadecanoyloxy-3-hydroxybutyl]-hydroxyphosphinate Traditional Name: sodium [(3S)-1-bromo-4-hexadecanoyloxy-3-hydroxy-butyl]-hydroxy-phosphinate Formula: C20H39BrNaO6P MolecularWeight: 509.387591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CC(P(=O)(O)[O-])Br)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O)[O-])Br)O.[Na+]

InChI

InChI=1S/C20H40BrO6P.Na/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);/q;+1/p-1/t18-,19?;/m0./s1