2-[7-[2,3,4,6-tetrakis(oxidanyl)-5-phosphonooxy-cyclohexyl]oxyhexadecyl]icosanedioate

Systemtic Name: 2-[7-[2,3,4,6-tetrakis(oxidanyl)-5-phosphonooxy-cyclohexyl]oxyhexadecyl]icosanedioate Openeye Name: 2-[7-(2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexoxy)hexadecyl]icosanedioate CAS Name: 2-[7-(2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl)oxyhexadecyl]eicosanedioate IUPAC Name: 2-[7-(2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl)oxyhexadecyl]icosanedioate Traditional Name: 2-[7-(2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexoxy)hexadecyl]eicosanedioate Formula: C42H79O13P-2 MolecularWeight: 823.042621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCC(CCCCCCCCCCCCCCCCCC(=O)[O-])C(=O)[O-])OC1C(C(C(C(C1O)OP(=O)(O)O)O)O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCC(CCCCCCCCCCCCCCCCCC(=O)[O-])C(=O)[O-])OC1C(C(C(C(C1O)OP(=O)(O)O)O)O)O

InChI

InChI=1S/C42H81O13P/c1-2-3-4-5-15-19-25-30-34(54-40-37(46)36(45)38(47)41(39(40)48)55-56(51,52)53)31-26-22-21-24-29-33(42(49)50)28-23-18-16-13-11-9-7-6-8-10-12-14-17-20-27-32-35(43)44/h33-34,36-41,45-48H,2-32H2,1H3,(H,43,44)(H,49,50)(H2,51,52,53)/p-2