ethyl [2-(2-octadecan-2-yloxyethyl)-5-oxidanylidene-3-(1,3-thiazol-3-ium-3-yl)oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: ethyl [2-(2-octadecan-2-yloxyethyl)-5-oxidanylidene-3-(1,3-thiazol-3-ium-3-yl)oxolan-2-yl]methyl hydrogen phosphate Openeye Name: ethyl [2-[2-(1-methylheptadecoxy)ethyl]-5-oxo-3-thiazol-3-ium-3-yl-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: ethyl [2-(2-octadecan-2-yloxyethyl)-5-oxo-3-(3-thiazol-3-iumyl)-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: ethyl [2-(2-octadecan-2-yloxyethyl)-5-oxo-3-(1,3-thiazol-3-ium-3-yl)oxolan-2-yl]methyl hydrogen phosphate Traditional Name: ethyl [5-keto-2-[2-(1-methylheptadecoxy)ethyl]-3-thiazol-3-ium-3-yl-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C30H55NO7PS+ MolecularWeight: 604.798961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)OCCC1(C(CC(=O)O1)[N+]2=CSC=C2)COP(=O)(O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)OCCC1(C(CC(=O)O1)[N+]2=CSC=C2)COP(=O)(O)OCC

InChI

InChI=1S/C30H54NO7PS/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(3)35-22-20-30(25-37-39(33,34)36-5-2)28(24-29(32)38-30)31-21-23-40-26-31/h21,23,26-28H,4-20,22,24-25H2,1-3H3/p+1