methyl 2-[[2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-5-dodecoxy-benzoate

Systemtic Name: methyl 2-[[2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-5-dodecoxy-benzoate Openeye Name: methyl 2-[[2-(3,4-dimethylthiazol-3-ium-2-yl)phenoxy]-hydroxy-phosphoryl]oxy-5-dodecoxy-benzoate CAS Name: 2-[[2-(3,4-dimethyl-2-thiazol-3-iumyl)phenoxy]-hydroxyphosphoryl]oxy-5-dodecoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-hydroxyphosphoryl]oxy-5-dodecoxybenzoate Traditional Name: 2-[[2-(3,4-dimethylthiazol-3-ium-2-yl)phenoxy]-hydroxy-phosphoryl]oxy-5-lauryloxy-benzoic acid methyl ester Formula: C31H43NO7PS+ MolecularWeight: 604.714381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C(=CS3)C)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C(=CS3)C)C)C(=O)OC

InChI

InChI=1S/C31H42NO7PS/c1-5-6-7-8-9-10-11-12-13-16-21-37-25-19-20-29(27(22-25)31(33)36-4)39-40(34,35)38-28-18-15-14-17-26(28)30-32(3)24(2)23-41-30/h14-15,17-20,22-23H,5-13,16,21H2,1-4H3/p+1