2-azanyl-12-hexadecoxy-12-oxidanylidene-dodecanoic acid

Systemtic Name: 2-azanyl-12-hexadecoxy-12-oxidanylidene-dodecanoic acid Openeye Name: 2-amino-12-hexadecoxy-12-oxo-dodecanoic acid CAS Name: 2-amino-12-hexadecoxy-12-oxododecanoic acid IUPAC Name: 2-amino-12-hexadecoxy-12-oxododecanoic acid Traditional Name: 2-amino-12-cetyloxy-12-keto-lauric acid Formula: C28H55NO4 MolecularWeight: 469.7406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCC(C(=O)O)N

InChI

InChI=1S/C28H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-25-33-27(30)24-21-18-15-13-14-17-20-23-26(29)28(31)32/h26H,2-25,29H2,1H3,(H,31,32)