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

Systemtic Name: (3-chloranyl-4-hexadecoxy-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-chloro-4-hexadecoxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-chloro-4-hexadecoxyphenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-chloro-4-hexadecoxyphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (4-cetyloxy-3-chloro-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C32H46ClNO5PS+ MolecularWeight: 623.203101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=CS3)C)Cl

InChI

InChI=1S/C32H45ClNO5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-37-31-22-21-27(26-29(31)33)38-40(35,36)39-30-20-17-16-19-28(30)32-34(2)23-25-41-32/h16-17,19-23,25-26H,3-15,18,24H2,1-2H3/p+1