[2-(3,5-dimethyl-4-oxidanyl-1,3-thiazol-3-ium-2-yl)phenoxy]-(2-methoxycarbonyl-3-tetradecoxy-phenoxy)-oxidanylidene-phosphanium hydroxide

Systemtic Name: [2-(3,5-dimethyl-4-oxidanyl-1,3-thiazol-3-ium-2-yl)phenoxy]-(2-methoxycarbonyl-3-tetradecoxy-phenoxy)-oxidanylidene-phosphanium hydroxide Openeye Name: [2-(4-hydroxy-3,5-dimethyl-thiazol-3-ium-2-yl)phenoxy]-(2-methoxycarbonyl-3-tetradecoxy-phenoxy)-oxo-phosphonium hydroxide CAS Name: [2-(4-hydroxy-3,5-dimethyl-2-thiazol-3-iumyl)phenoxy]-(2-methoxycarbonyl-3-tetradecoxyphenoxy)-oxophosphonium hydroxide IUPAC Name: [2-(4-hydroxy-3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-(2-methoxycarbonyl-3-tetradecoxyphenoxy)-oxophosphanium hydroxide Traditional Name: (2-carbomethoxy-3-myristyloxy-phenoxy)-[2-(4-hydroxy-3,5-dimethyl-thiazol-3-ium-2-yl)phenoxy]-keto-phosphonium hydroxide Formula: C33H47NO8PS+ MolecularWeight: 648.766941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)O[P+](=O)OC2=CC=CC=C2C3=[N+](C(=C(S3)C)O)C)C(=O)OC.[OH-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)O[P+](=O)OC2=CC=CC=C2C3=[N+](C(=C(S3)C)O)C)C(=O)OC.[OH-]

InChI

InChI=1S/C33H45NO7PS.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-18-24-39-28-22-19-23-29(30(28)33(36)38-4)41-42(37)40-27-21-17-16-20-26(27)32-34(3)31(35)25(2)43-32;/h16-17,19-23H,5-15,18,24H2,1-4H3;1H2/q+1;