(3R)-3-(16-ethoxy-3,3,14,14-tetramethyl-16-oxidanylidene-hexadecanoyl)oxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-(16-ethoxy-3,3,14,14-tetramethyl-16-oxidanylidene-hexadecanoyl)oxy-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-(16-ethoxy-3,3,14,14-tetramethyl-16-oxo-hexadecanoyl)oxy-4-(trimethylammonio)butanoate CAS Name: (3R)-3-(16-ethoxy-3,3,14,14-tetramethyl-1,16-dioxohexadecoxy)-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-(16-ethoxy-3,3,14,14-tetramethyl-16-oxohexadecanoyl)oxy-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-(16-ethoxy-16-keto-3,3,14,14-tetramethyl-hexadecanoyl)oxy-4-(trimethylammonio)butyrate Formula: C29H55NO6 MolecularWeight: 513.7501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)CCCCCCCCCCC(C)(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

Isomeric SMILES

CCOC(=O)CC(C)(C)CCCCCCCCCCC(C)(C)CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C29H55NO6/c1-9-35-26(33)21-28(2,3)18-16-14-12-10-11-13-15-17-19-29(4,5)22-27(34)36-24(20-25(31)32)23-30(6,7)8/h24H,9-23H2,1-8H3/t24-/m1/s1