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

Systemtic Name: (3-chloranyl-2-tetradecoxy-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-chloro-2-tetradecoxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-chloro-2-tetradecoxyphenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-chloro-2-tetradecoxyphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-chloro-2-myristyloxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C30H42ClNO5PS+ MolecularWeight: 595.149941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C

InChI

InChI=1S/C30H41ClNO5PS/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-35-29-26(31)19-17-21-28(29)37-38(33,34)36-27-20-15-14-18-25(27)30-32(2)22-24-39-30/h14-15,17-22,24H,3-13,16,23H2,1-2H3/p+1