(3-methyl-8-phosphonooxy-octan-4-yl) phosphate

Systemtic Name: (3-methyl-8-phosphonooxy-octan-4-yl) phosphate Openeye Name: (5-phosphonooxy-1-sec-butyl-pentyl) phosphate CAS Name: (3-methyl-8-phosphonooxyoctan-4-yl) phosphate IUPAC Name: (3-methyl-8-phosphonooxyoctan-4-yl) phosphate Traditional Name: (5-phosphonooxy-1-sec-butyl-pentyl) phosphate Formula: C9H20O8P2-2 MolecularWeight: 318.197822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CCCCOP(=O)(O)O)OP(=O)([O-])[O-]

Isomeric SMILES

CCC(C)C(CCCCOP(=O)(O)O)OP(=O)([O-])[O-]

InChI

InChI=1S/C9H22O8P2/c1-3-8(2)9(17-19(13,14)15)6-4-5-7-16-18(10,11)12/h8-9H,3-7H2,1-2H3,(H2,10,11,12)(H2,13,14,15)/p-2