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

Systemtic Name: methyl 5-hexadecoxy-2-[[2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-benzoate Openeye Name: methyl 5-hexadecoxy-2-[hydroxy-[2-(3-methylthiazol-3-ium-2-yl)phenoxy]phosphoryl]oxy-benzoate CAS Name: 5-hexadecoxy-2-[hydroxy-[2-(3-methyl-2-thiazol-3-iumyl)phenoxy]phosphoryl]oxybenzoic acid methyl ester IUPAC Name: methyl 5-hexadecoxy-2-[hydroxy-[2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenoxy]phosphoryl]oxybenzoate Traditional Name: 5-cetyloxy-2-[hydroxy-[2-(3-methylthiazol-3-ium-2-yl)phenoxy]phosphoryl]oxy-benzoic acid methyl ester Formula: C34H49NO7PS+ MolecularWeight: 646.794121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)C(=O)OC

InChI

InChI=1S/C34H48NO7PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-40-28-22-23-32(30(27-28)34(36)39-3)42-43(37,38)41-31-21-18-17-20-29(31)33-35(2)24-26-44-33/h17-18,20-24,26-27H,4-16,19,25H2,1-3H3/p+1