undecyl 4-[1-[1,3-bis[2,3-bis(oxidanyl)propoxy]propan-2-yl]-1,2,3-triazol-4-yl]benzoate

Systemtic Name: undecyl 4-[1-[1,3-bis[2,3-bis(oxidanyl)propoxy]propan-2-yl]-1,2,3-triazol-4-yl]benzoate Openeye Name: undecyl 4-[1-[2-(2,3-dihydroxypropoxy)-1-(2,3-dihydroxypropoxymethyl)ethyl]triazol-4-yl]benzoate CAS Name: 4-[1-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yl]-4-triazolyl]benzoic acid undecyl ester IUPAC Name: undecyl 4-[1-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yl]triazol-4-yl]benzoate Traditional Name: 4-[1-[2-glyceryloxy-1-(glyceryloxymethyl)ethyl]triazol-4-yl]benzoic acid undecyl ester Formula: C29H47N3O8 MolecularWeight: 565.69878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CN(N=N2)C(COCC(CO)O)COCC(CO)O

Isomeric SMILES

CCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CN(N=N2)C(COCC(CO)O)COCC(CO)O

InChI

InChI=1S/C29H47N3O8/c1-2-3-4-5-6-7-8-9-10-15-40-29(37)24-13-11-23(12-14-24)28-16-32(31-30-28)25(19-38-21-26(35)17-33)20-39-22-27(36)18-34/h11-14,16,25-27,33-36H,2-10,15,17-22H2,1H3