[4-(hexadecoxymethyl)oxolan-2-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate; 4-methylbenzenesulfonate

Systemtic Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate; 4-methylbenzenesulfonate Openeye Name: [4-(hexadecoxymethyl)tetrahydrofuran-2-yl]methyl 6-thiazol-3-ium-3-ylhexanoate; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 6-(3-thiazol-3-iumyl)hexanoic acid [4-(hexadecoxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate; 4-methylbenzenesulfonate Traditional Name: 6-thiazol-3-ium-3-ylhexanoic acid [4-(cetyloxymethyl)tetrahydrofuran-2-yl]methyl ester tosylate Formula: C38H63NO7S2 MolecularWeight: 710.03932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)CCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)CCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C31H56NO4S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-34-25-29-24-30(35-26-29)27-36-31(33)19-16-15-17-20-32-21-23-37-28-32;1-6-2-4-7(5-3-6)11(8,9)10/h21,23,28-30H,2-20,22,24-27H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1