methyl 2-[[2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-6-tetradecoxy-benzoate

Systemtic Name: methyl 2-[[2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-6-tetradecoxy-benzoate Openeye Name: methyl 2-[[2-(3,4-dimethylthiazol-3-ium-2-yl)phenoxy]-hydroxy-phosphoryl]oxy-6-tetradecoxy-benzoate CAS Name: 2-[[2-(3,4-dimethyl-2-thiazol-3-iumyl)phenoxy]-hydroxyphosphoryl]oxy-6-tetradecoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-hydroxyphosphoryl]oxy-6-tetradecoxybenzoate Traditional Name: 2-[[2-(3,4-dimethylthiazol-3-ium-2-yl)phenoxy]-hydroxy-phosphoryl]oxy-6-myristyloxy-benzoic acid methyl ester Formula: C33H47NO7PS+ MolecularWeight: 632.767541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C(=CS3)C)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C(=CS3)C)C)C(=O)OC

InChI

InChI=1S/C33H46NO7PS/c1-5-6-7-8-9-10-11-12-13-14-15-18-24-39-29-22-19-23-30(31(29)33(35)38-4)41-42(36,37)40-28-21-17-16-20-27(28)32-34(3)26(2)25-43-32/h16-17,19-23,25H,5-15,18,24H2,1-4H3/p+1