(18S)-17,18-bis(oxidanyl)-18-(5-oxidanyl-3-oxidanylidene-4-phosphonooxy-furan-2-yl)octadecanoic acid

Systemtic Name: (18S)-17,18-bis(oxidanyl)-18-(5-oxidanyl-3-oxidanylidene-4-phosphonooxy-furan-2-yl)octadecanoic acid Openeye Name: (18S)-17,18-dihydroxy-18-(5-hydroxy-3-oxo-4-phosphonooxy-2-furyl)octadecanoic acid CAS Name: (18S)-17,18-dihydroxy-18-(5-hydroxy-3-oxo-4-phosphonooxy-2-furanyl)octadecanoic acid IUPAC Name: (18S)-17,18-dihydroxy-18-(5-hydroxy-3-oxo-4-phosphonooxyfuran-2-yl)octadecanoic acid Traditional Name: (18S)-17,18-dihydroxy-18-(5-hydroxy-3-keto-4-phosphonooxy-2-furyl)stearic acid Formula: C22H39O11P MolecularWeight: 510.512221

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCC(C(C1C(=O)C(=C(O1)O)OP(=O)(O)O)O)O)CCCCCCCC(=O)O

Isomeric SMILES

C(CCCCCCCC([C@@H](C1C(=O)C(=C(O1)O)OP(=O)(O)O)O)O)CCCCCCCC(=O)O

InChI

InChI=1S/C22H39O11P/c23-16(18(26)20-19(27)21(22(28)32-20)33-34(29,30)31)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(24)25/h16,18,20,23,26,28H,1-15H2,(H,24,25)(H2,29,30,31)/t16?,18-,20?/m0/s1