6-[[1,2-bis[(2-methyl-6-oxidanyl-1,4-dioxepan-6-yl)methyl]-1,4,7-triazonan-2-yl]methyl]-2-methyl-1,4-dioxepan-6-ol

Systemtic Name: 6-[[1,2-bis[(2-methyl-6-oxidanyl-1,4-dioxepan-6-yl)methyl]-1,4,7-triazonan-2-yl]methyl]-2-methyl-1,4-dioxepan-6-ol Openeye Name: 6-[[1,2-bis[(6-hydroxy-2-methyl-1,4-dioxepan-6-yl)methyl]-1,4,7-triazonan-2-yl]methyl]-2-methyl-1,4-dioxepan-6-ol CAS Name: 6-[[1,2-bis[(6-hydroxy-2-methyl-1,4-dioxepan-6-yl)methyl]-1,4,7-triazonan-2-yl]methyl]-2-methyl-1,4-dioxepan-6-ol IUPAC Name: 6-[[1,2-bis[(6-hydroxy-2-methyl-1,4-dioxepan-6-yl)methyl]-1,4,7-triazonan-2-yl]methyl]-2-methyl-1,4-dioxepan-6-ol Traditional Name: 6-[[1,2-bis[(6-hydroxy-2-methyl-1,4-dioxepan-6-yl)methyl]-1,4,7-triazonan-2-yl]methyl]-2-methyl-1,4-dioxepan-6-ol Formula: C27H51N3O9 MolecularWeight: 561.70854

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCC(CO1)(CC2(CNCCNCCN2CC3(COCC(OC3)C)O)CC4(COCC(OC4)C)O)O

Isomeric SMILES

CC1COCC(CO1)(CC2(CNCCNCCN2CC3(COCC(OC3)C)O)CC4(COCC(OC4)C)O)O

InChI

InChI=1S/C27H51N3O9/c1-21-8-34-15-25(31,18-37-21)11-24(12-26(32)16-35-9-22(2)38-19-26)13-29-5-4-28-6-7-30(24)14-27(33)17-36-10-23(3)39-20-27/h21-23,28-29,31-33H,4-20H2,1-3H3