9-[(E)-4-[3,4-bis(oxidanyl)-5-[[3-(3-oxidanylbutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-but-2-enoyl]oxynonanoic acid

Systemtic Name: 9-[(E)-4-[3,4-bis(oxidanyl)-5-[[3-(3-oxidanylbutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-but-2-enoyl]oxynonanoic acid Openeye Name: 9-[(E)-4-[3,4-dihydroxy-5-[[3-(2-hydroxy-1-methyl-propyl)oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-but-2-enoyl]oxynonanoic acid CAS Name: 9-[(E)-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)-2-oxiranyl]methyl]-2-oxanyl]-3-methyl-1-oxobut-2-enoxy]nonanoic acid IUPAC Name: 9-[(E)-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid Traditional Name: 9-[(E)-4-[3,4-dihydroxy-5-[[3-(2-hydroxy-1-methyl-propyl)oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-but-2-enoyl]oxypelargonic acid Formula: C52H88O18 MolecularWeight: 1001.24432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCCCCCC(=O)O)C)C(C)O.CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCCCCCC(=O)O)C)C(C)O

Isomeric SMILES

CC(C(O)C)C1OC1CC2C(C(C(OC2)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)O)O.CC(C(O)C)C1OC1CC2C(C(C(OC2)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)O)O

InChI

InChI=1S/2C26H44O9/c2*1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h2*13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b2*16-13+