(3-chloranyl-4-tetradecoxy-phenyl) [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl) [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-chloro-4-tetradecoxy-phenyl) [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-chloro-4-tetradecoxyphenyl) [2-(3,4-dimethyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-chloro-4-tetradecoxyphenyl) [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-chloro-4-myristyloxy-phenyl) [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C31H44ClNO5PS+ MolecularWeight: 609.176521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43ClNO5PS/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-36-30-21-20-26(23-28(30)32)37-39(34,35)38-29-19-16-15-18-27(29)31-33(3)25(2)24-40-31/h15-16,18-21,23-24H,4-14,17,22H2,1-3H3/p+1