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2-methylheptane diphosphate

2-methylheptane diphosphate

Systemtic Name:2-methylheptane diphosphate
Openeye Name:2-methylheptane diphosphate
CAS Name:2-methylheptane diphosphate
IUPAC Name:2-methylheptane diphosphate
Traditional Name:2-methylheptane diphosphate
Formula: C16H36O8P2-6
MolecularWeight: 418.399762
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C.CCCCCC(C)C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]


Isomeric SMILES

CCCCCC(C)C.CCCCCC(C)C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]


InChI

InChI=1S/2C8H18.2H3O4P/c2*1-4-5-6-7-8(2)3;2*1-5(2,3)4/h2*8H,4-7H2,1-3H3;2*(H3,1,2,3,4)/p-6


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