[2-oxidanyl-3-[oxidanyl-[2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] ethanoate

Systemtic Name: [2-oxidanyl-3-[oxidanyl-[2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] ethanoate Openeye Name: [2-hydroxy-3-[hydroxy-(2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexoxy)phosphoryl]oxy-propyl] acetate CAS Name: acetic acid [2-hydroxy-3-[hydroxy-(2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl)oxyphosphoryl]oxypropyl] ester IUPAC Name: [2-hydroxy-3-[hydroxy-(2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl)oxyphosphoryl]oxypropyl] acetate Traditional Name: acetic acid [2-hydroxy-3-[hydroxy-(2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexoxy)phosphoryl]oxy-propyl] ester Formula: C11H22O15P2 MolecularWeight: 456.230902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O

Isomeric SMILES

CC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O

InChI

InChI=1S/C11H22O15P2/c1-4(12)23-2-5(13)3-24-28(21,22)26-11-8(16)6(14)10(7(15)9(11)17)25-27(18,19)20/h5-11,13-17H,2-3H2,1H3,(H,21,22)(H2,18,19,20)