2,2,3,3,4,4,5,5,6-nonakis[2,3-bis(oxidanyl)propyl]-6-ethyl-8,9-bis(oxidanyl)nonanoic acid

Systemtic Name: 2,2,3,3,4,4,5,5,6-nonakis[2,3-bis(oxidanyl)propyl]-6-ethyl-8,9-bis(oxidanyl)nonanoic acid Openeye Name: 2,2,3,3,4,4,5,5,6-nonakis(2,3-dihydroxypropyl)-6-ethyl-8,9-dihydroxy-nonanoic acid CAS Name: 2,2,3,3,4,4,5,5,6-nonakis(2,3-dihydroxypropyl)-6-ethyl-8,9-dihydroxynonanoic acid IUPAC Name: 2,2,3,3,4,4,5,5,6-nonakis(2,3-dihydroxypropyl)-6-ethyl-8,9-dihydroxynonanoic acid Traditional Name: 6-ethyl-2,2,3,3,4,4,5,5,6-nonaglyceryl-8,9-dihydroxy-pelargonic acid Formula: C38H76O22 MolecularWeight: 884.99684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CO)O)(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(=O)O

Isomeric SMILES

CCC(CC(CO)O)(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(=O)O

InChI

InChI=1S/C38H76O22/c1-2-34(3-23(49)13-39,4-24(50)14-40)36(7-27(53)17-43,8-28(54)18-44)38(11-31(57)21-47,12-32(58)22-48)37(9-29(55)19-45,10-30(56)20-46)35(33(59)60,5-25(51)15-41)6-26(52)16-42/h23-32,39-58H,2-22H2,1H3,(H,59,60)