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

Systemtic Name: methyl 5-dodecoxy-2-[[2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-benzoate Openeye Name: methyl 5-dodecoxy-2-[hydroxy-[2-(3-methylthiazol-3-ium-2-yl)phenoxy]phosphoryl]oxy-benzoate CAS Name: 5-dodecoxy-2-[hydroxy-[2-(3-methyl-2-thiazol-3-iumyl)phenoxy]phosphoryl]oxybenzoic acid methyl ester IUPAC Name: methyl 5-dodecoxy-2-[hydroxy-[2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenoxy]phosphoryl]oxybenzoate Traditional Name: 2-[hydroxy-[2-(3-methylthiazol-3-ium-2-yl)phenoxy]phosphoryl]oxy-5-lauryloxy-benzoic acid methyl ester Formula: C30H41NO7PS+ MolecularWeight: 590.687801

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H40NO7PS/c1-4-5-6-7-8-9-10-11-12-15-21-36-24-18-19-28(26(23-24)30(32)35-3)38-39(33,34)37-27-17-14-13-16-25(27)29-31(2)20-22-40-29/h13-14,16-20,22-23H,4-12,15,21H2,1-3H3/p+1