methyl 2-[[2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-5-tetradecoxy-benzoate

Systemtic Name: methyl 2-[[2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-5-tetradecoxy-benzoate Openeye Name: methyl 2-[[2-(3,5-dimethylthiazol-3-ium-2-yl)phenoxy]-hydroxy-phosphoryl]oxy-5-tetradecoxy-benzoate CAS Name: 2-[[2-(3,5-dimethyl-2-thiazol-3-iumyl)phenoxy]-hydroxyphosphoryl]oxy-5-tetradecoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-hydroxyphosphoryl]oxy-5-tetradecoxybenzoate Traditional Name: 2-[[2-(3,5-dimethylthiazol-3-ium-2-yl)phenoxy]-hydroxy-phosphoryl]oxy-5-myristyloxy-benzoic acid methyl ester Formula: C33H47NO7PS+ MolecularWeight: 632.767541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C)C(=O)OC

InChI

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