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13-(phosphonooxymethyl)hexacosanedioic acid

13-(phosphonooxymethyl)hexacosanedioic acid

Systemtic Name:13-(phosphonooxymethyl)hexacosanedioic acid
Openeye Name:13-(phosphonooxymethyl)hexacosanedioic acid
CAS Name:13-(phosphonooxymethyl)hexacosanedioic acid
IUPAC Name:13-(phosphonooxymethyl)hexacosanedioic acid
Traditional Name:13-(phosphonooxymethyl)hexacosanedioic acid
Formula: C27H53O8P
MolecularWeight: 536.678681
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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCC(=O)O)CCCCCC(CCCCCCCCCCCC(=O)O)COP(=O)(O)O


Isomeric SMILES

C(CCCCCCC(=O)O)CCCCCC(CCCCCCCCCCCC(=O)O)COP(=O)(O)O


InChI

InChI=1S/C27H53O8P/c28-26(29)22-18-14-10-6-2-1-4-8-12-16-20-25(24-35-36(32,33)34)21-17-13-9-5-3-7-11-15-19-23-27(30)31/h25H,1-24H2,(H,28,29)(H,30,31)(H2,32,33,34)


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