ethyl [2-octadecan-2-yloxy-1-[3-(1,3-thiazol-3-ium-3-yl)oxolan-2-yl]ethyl] hydrogen phosphate hydroxide

Systemtic Name: ethyl [2-octadecan-2-yloxy-1-[3-(1,3-thiazol-3-ium-3-yl)oxolan-2-yl]ethyl] hydrogen phosphate hydroxide Openeye Name: ethyl [2-(1-methylheptadecoxy)-1-(3-thiazol-3-ium-3-yltetrahydrofuran-2-yl)ethyl] hydrogen phosphate hydroxide CAS Name: ethyl [2-octadecan-2-yloxy-1-[3-(3-thiazol-3-iumyl)-2-oxolanyl]ethyl] hydrogen phosphate hydroxide IUPAC Name: ethyl [2-octadecan-2-yloxy-1-[3-(1,3-thiazol-3-ium-3-yl)oxolan-2-yl]ethyl] hydrogen phosphate hydroxide Traditional Name: ethyl [2-(1-methylheptadecoxy)-1-(3-thiazol-3-ium-3-yltetrahydrofuran-2-yl)ethyl] hydrogen phosphate hydroxide Formula: C29H56NO7PS MolecularWeight: 593.796201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)OCC(C1C(CCO1)[N+]2=CSC=C2)OP(=O)(O)OCC.[OH-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)OCC(C1C(CCO1)[N+]2=CSC=C2)OP(=O)(O)OCC.[OH-]

InChI

InChI=1S/C29H54NO6PS.H2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(3)34-24-28(36-37(31,32)35-5-2)29-27(20-22-33-29)30-21-23-38-25-30;/h21,23,25-29H,4-20,22,24H2,1-3H3;1H2