benzene; 3-methylheptane; diphosphate

Systemtic Name: benzene; 3-methylheptane; diphosphate Openeye Name: benzene; 3-methylheptane; diphosphate CAS Name: benzene; 3-methylheptane; diphosphate IUPAC Name: benzene; 3-methylheptane; diphosphate Traditional Name: benzene; 3-methylheptane; diphosphate Formula: C14H24O8P2-6 MolecularWeight: 382.283082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC.C1=CC=CC=C1.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCC(C)CC.C1=CC=CC=C1.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C8H18.C6H6.2H3O4P/c1-4-6-7-8(3)5-2;1-2-4-6-5-3-1;2*1-5(2,3)4/h8H,4-7H2,1-3H3;1-6H;2*(H3,1,2,3,4)/p-6