(2-chloranyl-4-hexadecoxy-phenyl) [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (2-chloranyl-4-hexadecoxy-phenyl) [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (2-chloro-4-hexadecoxy-phenyl) [2-(3,5-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (2-chloro-4-hexadecoxyphenyl) [2-(3,5-dimethyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (2-chloro-4-hexadecoxyphenyl) [2-(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (4-cetyloxy-2-chloro-phenyl) [2-(3,5-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C33H48ClNO5PS+ MolecularWeight: 637.229681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C)Cl

InChI

InChI=1S/C33H47ClNO5PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-38-28-22-23-32(30(34)25-28)40-41(36,37)39-31-21-18-17-20-29(31)33-35(3)26-27(2)42-33/h17-18,20-23,25-26H,4-16,19,24H2,1-3H3/p+1