3-(3-methoxy-4-octadecoxy-butyl)sulfonylpropyl methanesulfonate; 1,3-thiazol-3-ium

Systemtic Name: 3-(3-methoxy-4-octadecoxy-butyl)sulfonylpropyl methanesulfonate; 1,3-thiazol-3-ium Openeye Name: 3-(3-methoxy-4-octadecoxy-butyl)sulfonylpropyl methanesulfonate; thiazol-3-ium CAS Name: methanesulfonic acid 3-(3-methoxy-4-octadecoxybutyl)sulfonylpropyl ester; thiazol-3-ium IUPAC Name: 3-(3-methoxy-4-octadecoxybutyl)sulfonylpropyl methanesulfonate; 1,3-thiazol-3-ium Traditional Name: methanesulfonic acid 3-(3-methoxy-4-stearyloxy-butyl)sulfonylpropyl ester; thiazol-3-ium Formula: C30H60NO7S3+ MolecularWeight: 642.9949

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCS(=O)(=O)CCCOS(=O)(=O)C)OC.C1=CSC=[NH+]1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CCS(=O)(=O)CCCOS(=O)(=O)C)OC.C1=CSC=[NH+]1

InChI

InChI=1S/C27H56O7S2.C3H3NS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-33-26-27(32-2)21-25-36(30,31)24-20-23-34-35(3,28)29;1-2-5-3-4-1/h27H,4-26H2,1-3H3;1-3H/p+1