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[1,12-bis(oxidanyl)-1,12,12-triphosphono-dodecyl]phosphonic acid

[1,12-bis(oxidanyl)-1,12,12-triphosphono-dodecyl]phosphonic acid

Systemtic Name:[1,12-bis(oxidanyl)-1,12,12-triphosphono-dodecyl]phosphonic acid
Openeye Name:(1,12-dihydroxy-1,12,12-triphosphono-dodecyl)phosphonic acid
CAS Name:(1,12-dihydroxy-1,12,12-triphosphonododecyl)phosphonic acid
IUPAC Name:(1,12-dihydroxy-1,12,12-triphosphonododecyl)phosphonic acid
Traditional Name:(1,12-dihydroxy-1,12,12-triphosphono-dodecyl)phosphonic acid
Formula: C12H30O14P4
MolecularWeight: 522.253244
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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCC(O)(P(=O)(O)O)P(=O)(O)O)CCCCC(O)(P(=O)(O)O)P(=O)(O)O


Isomeric SMILES

C(CCCCCC(O)(P(=O)(O)O)P(=O)(O)O)CCCCC(O)(P(=O)(O)O)P(=O)(O)O


InChI

InChI=1S/C12H30O14P4/c13-11(27(15,16)17,28(18,19)20)9-7-5-3-1-2-4-6-8-10-12(14,29(21,22)23)30(24,25)26/h13-14H,1-10H2,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)


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