(2-ethoxy-3-hexadecoxy-propyl) 3-(1,3-thiazol-3-ium-3-ylmethyl)benzoate

Systemtic Name: (2-ethoxy-3-hexadecoxy-propyl) 3-(1,3-thiazol-3-ium-3-ylmethyl)benzoate Openeye Name: (2-ethoxy-3-hexadecoxy-propyl) 3-(thiazol-3-ium-3-ylmethyl)benzoate CAS Name: 3-(3-thiazol-3-iumylmethyl)benzoic acid (2-ethoxy-3-hexadecoxypropyl) ester IUPAC Name: (2-ethoxy-3-hexadecoxypropyl) 3-(1,3-thiazol-3-ium-3-ylmethyl)benzoate Traditional Name: 3-(thiazol-3-ium-3-ylmethyl)benzoic acid (3-cetyloxy-2-ethoxy-propyl) ester Formula: C32H52NO4S+ MolecularWeight: 546.82458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC(=CC=C1)C[N+]2=CSC=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC(=CC=C1)C[N+]2=CSC=C2)OCC

InChI

InChI=1S/C32H52NO4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-35-26-31(36-4-2)27-37-32(34)30-20-18-19-29(24-30)25-33-21-23-38-28-33/h18-21,23-24,28,31H,3-17,22,25-27H2,1-2H3/q+1