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

Systemtic Name: methyl 2-[[2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-5-tetradecoxy-benzoate Openeye Name: methyl 2-[hydroxy-[2-(3-methylthiazol-3-ium-2-yl)phenoxy]phosphoryl]oxy-5-tetradecoxy-benzoate CAS Name: 2-[hydroxy-[2-(3-methyl-2-thiazol-3-iumyl)phenoxy]phosphoryl]oxy-5-tetradecoxybenzoic acid methyl ester IUPAC Name: methyl 2-[hydroxy-[2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenoxy]phosphoryl]oxy-5-tetradecoxybenzoate Traditional Name: 2-[hydroxy-[2-(3-methylthiazol-3-ium-2-yl)phenoxy]phosphoryl]oxy-5-myristyloxy-benzoic acid methyl ester Formula: C32H45NO7PS+ MolecularWeight: 618.740961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44NO7PS/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-38-26-20-21-30(28(25-26)32(34)37-3)40-41(35,36)39-29-19-16-15-18-27(29)31-33(2)22-24-42-31/h15-16,18-22,24-25H,4-14,17,23H2,1-3H3/p+1