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

Systemtic Name: methyl 2-[[2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-oxidanyl-phosphoryl]oxy-5-hexadecoxy-benzoate Openeye Name: methyl 2-[[2-(3,5-dimethylthiazol-3-ium-2-yl)phenoxy]-hydroxy-phosphoryl]oxy-5-hexadecoxy-benzoate CAS Name: 2-[[2-(3,5-dimethyl-2-thiazol-3-iumyl)phenoxy]-hydroxyphosphoryl]oxy-5-hexadecoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenoxy]-hydroxyphosphoryl]oxy-5-hexadecoxybenzoate Traditional Name: 5-cetyloxy-2-[[2-(3,5-dimethylthiazol-3-ium-2-yl)phenoxy]-hydroxy-phosphoryl]oxy-benzoic acid methyl ester Formula: C35H51NO7PS+ MolecularWeight: 660.820701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C)C(=O)OC

InChI

InChI=1S/C35H50NO7PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-41-29-23-24-33(31(26-29)35(37)40-4)43-44(38,39)42-32-22-19-18-21-30(32)34-36(3)27-28(2)45-34/h18-19,21-24,26-27H,5-17,20,25H2,1-4H3/p+1