[2-bromanyl-1-ethoxy-6-oxidanyl-1,3,6-tris(oxidanylidene)hexan-2-yl]-triphenyl-phosphanium

Systemtic Name: [2-bromanyl-1-ethoxy-6-oxidanyl-1,3,6-tris(oxidanylidene)hexan-2-yl]-triphenyl-phosphanium Openeye Name: (1-bromo-1-ethoxycarbonyl-5-hydroxy-2,5-dioxo-pentyl)-triphenyl-phosphonium CAS Name: (2-bromo-1-ethoxy-6-hydroxy-1,3,6-trioxohexan-2-yl)-triphenylphosphonium IUPAC Name: (2-bromo-1-ethoxy-6-hydroxy-1,3,6-trioxohexan-2-yl)-triphenylphosphanium Traditional Name: (1-bromo-1-carbethoxy-5-hydroxy-2,5-diketo-pentyl)-triphenyl-phosphonium Formula: C26H25BrO5P+ MolecularWeight: 528.351461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)CCC(=O)O)([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CCOC(=O)C(C(=O)CCC(=O)O)([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C26H24BrO5P/c1-2-32-25(31)26(27,23(28)18-19-24(29)30)33(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,2,18-19H2,1H3/p+1