2-methoxypropyl 2-hexadecoxy-6-(3-methyl-1,3-thiazol-3-ium-2-yl)benzoate

Systemtic Name: 2-methoxypropyl 2-hexadecoxy-6-(3-methyl-1,3-thiazol-3-ium-2-yl)benzoate Openeye Name: 2-methoxypropyl 2-hexadecoxy-6-(3-methylthiazol-3-ium-2-yl)benzoate CAS Name: 2-hexadecoxy-6-(3-methyl-2-thiazol-3-iumyl)benzoic acid 2-methoxypropyl ester IUPAC Name: 2-methoxypropyl 2-hexadecoxy-6-(3-methyl-1,3-thiazol-3-ium-2-yl)benzoate Traditional Name: 2-cetyloxy-6-(3-methylthiazol-3-ium-2-yl)benzoic acid 2-methoxypropyl ester Formula: C31H50NO4S+ MolecularWeight: 532.798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1C(=O)OCC(C)OC)C2=[N+](C=CS2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1C(=O)OCC(C)OC)C2=[N+](C=CS2)C

InChI

InChI=1S/C31H50NO4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-35-28-21-19-20-27(30-32(3)22-24-37-30)29(28)31(33)36-25-26(2)34-4/h19-22,24,26H,5-18,23,25H2,1-4H3/q+1