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

Systemtic Name: (3-chloranyl-4-dodecoxy-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-chloro-4-dodecoxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-chloro-4-dodecoxyphenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-chloro-4-dodecoxyphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-chloro-4-lauryloxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C28H38ClNO5PS+ MolecularWeight: 567.096781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37ClNO5PS/c1-3-4-5-6-7-8-9-10-11-14-20-33-27-18-17-23(22-25(27)29)34-36(31,32)35-26-16-13-12-15-24(26)28-30(2)19-21-37-28/h12-13,15-19,21-22H,3-11,14,20H2,1-2H3/p+1