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

Systemtic Name: (3-chloranyl-4-dodecoxy-phenyl) [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-chloro-4-dodecoxy-phenyl) [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-chloro-4-dodecoxyphenyl) [2-(3,4-dimethyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-chloro-4-dodecoxyphenyl) [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-chloro-4-lauryloxy-phenyl) [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C29H40ClNO5PS+ MolecularWeight: 581.123361

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H39ClNO5PS/c1-4-5-6-7-8-9-10-11-12-15-20-34-28-19-18-24(21-26(28)30)35-37(32,33)36-27-17-14-13-16-25(27)29-31(3)23(2)22-38-29/h13-14,16-19,21-22H,4-12,15,20H2,1-3H3/p+1