[2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-tetradecylphenyl) hydrogen phosphate

Systemtic Name: [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-tetradecylphenyl) hydrogen phosphate Openeye Name: [2-(3-methylthiazol-3-ium-2-yl)phenyl] (3-tetradecylphenyl) hydrogen phosphate CAS Name: [2-(3-methyl-2-thiazol-3-iumyl)phenyl] (3-tetradecylphenyl) hydrogen phosphate IUPAC Name: [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-tetradecylphenyl) hydrogen phosphate Traditional Name: [2-(3-methylthiazol-3-ium-2-yl)phenyl] (3-myristylphenyl) hydrogen phosphate Formula: C30H43NO4PS+ MolecularWeight: 544.705481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C

InChI

InChI=1S/C30H42NO4PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-26-19-17-20-27(25-26)34-36(32,33)35-29-22-16-15-21-28(29)30-31(2)23-24-37-30/h15-17,19-25H,3-14,18H2,1-2H3/p+1