1-(4-hexyl-3-oxidanylidene-oxetan-2-yl)tridecan-2-yl 8-azanyl-8-oxidanylidene-octanoate

Systemtic Name: 1-(4-hexyl-3-oxidanylidene-oxetan-2-yl)tridecan-2-yl 8-azanyl-8-oxidanylidene-octanoate Openeye Name: 1-[(4-hexyl-3-oxo-oxetan-2-yl)methyl]dodecyl 8-amino-8-oxo-octanoate CAS Name: 8-amino-8-oxooctanoic acid 1-(4-hexyl-3-oxo-2-oxetanyl)tridecan-2-yl ester IUPAC Name: 1-(4-hexyl-3-oxooxetan-2-yl)tridecan-2-yl 8-amino-8-oxooctanoate Traditional Name: 8-amino-8-keto-caprylic acid 1-[(4-hexyl-3-keto-oxetan-2-yl)methyl]dodecyl ester Formula: C30H55NO5 MolecularWeight: 509.7614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(=O)C(O1)CCCCCC)OC(=O)CCCCCCC(=O)N

Isomeric SMILES

CCCCCCCCCCCC(CC1C(=O)C(O1)CCCCCC)OC(=O)CCCCCCC(=O)N

InChI

InChI=1S/C30H55NO5/c1-3-5-7-9-10-11-12-13-16-20-25(35-29(33)23-19-15-14-18-22-28(31)32)24-27-30(34)26(36-27)21-17-8-6-4-2/h25-27H,3-24H2,1-2H3,(H2,31,32)