(2-heptadecyl-1,3-dioxolan-4-yl)methyl 8-(1,3-thiazol-3-ium-3-yl)octanoate

Systemtic Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 8-(1,3-thiazol-3-ium-3-yl)octanoate Openeye Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 8-thiazol-3-ium-3-yloctanoate CAS Name: 8-(3-thiazol-3-iumyl)octanoic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 8-(1,3-thiazol-3-ium-3-yl)octanoate Traditional Name: 8-thiazol-3-ium-3-ylcaprylic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester Formula: C32H58NO4S+ MolecularWeight: 552.87222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCCCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCCCC[N+]2=CSC=C2

InChI

InChI=1S/C32H58NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-32-36-28-30(37-32)27-35-31(34)22-19-16-15-18-21-24-33-25-26-38-29-33/h25-26,29-30,32H,2-24,27-28H2,1H3/q+1