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

Systemtic Name: (3-methyl-8-phosphonooxy-octan-4-yl) dihydrogen phosphate Openeye Name: (6-methyl-5-phosphonooxy-octyl) dihydrogen phosphate CAS Name: (3-methyl-8-phosphonooxyoctan-4-yl) dihydrogen phosphate IUPAC Name: (3-methyl-8-phosphonooxyoctan-4-yl) dihydrogen phosphate Traditional Name: (6-methyl-5-phosphonooxy-octyl) dihydrogen phosphate Formula: C9H22O8P2 MolecularWeight: 320.213702

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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)