(2-pentadecyl-1,3-dioxolan-4-yl)methyl 7-(1,3-thiazol-3-ium-3-yl)heptanoate

Systemtic Name: (2-pentadecyl-1,3-dioxolan-4-yl)methyl 7-(1,3-thiazol-3-ium-3-yl)heptanoate Openeye Name: (2-pentadecyl-1,3-dioxolan-4-yl)methyl 7-thiazol-3-ium-3-ylheptanoate CAS Name: 7-(3-thiazol-3-iumyl)heptanoic acid (2-pentadecyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-pentadecyl-1,3-dioxolan-4-yl)methyl 7-(1,3-thiazol-3-ium-3-yl)heptanoate Traditional Name: 7-thiazol-3-ium-3-ylenanthic acid (2-pentadecyl-1,3-dioxolan-4-yl)methyl ester Formula: C29H52NO4S+ MolecularWeight: 510.79248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCCC[N+]2=CSC=C2

InChI

InChI=1S/C29H52NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-29-33-25-27(34-29)24-32-28(31)19-16-14-15-18-21-30-22-23-35-26-30/h22-23,26-27,29H,2-21,24-25H2,1H3/q+1