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

Systemtic Name: [2,5-bis(chloranyl)-4-tetradecoxy-phenyl] [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (2,5-dichloro-4-tetradecoxy-phenyl) [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (2,5-dichloro-4-tetradecoxyphenyl) [2-(3,4-dimethyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (2,5-dichloro-4-tetradecoxyphenyl) [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (2,5-dichloro-4-myristyloxy-phenyl) [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C31H43Cl2NO5PS+ MolecularWeight: 643.621581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42Cl2NO5PS/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-37-29-21-27(33)30(22-26(29)32)39-40(35,36)38-28-19-16-15-18-25(28)31-34(3)24(2)23-41-31/h15-16,18-19,21-23H,4-14,17,20H2,1-3H3/p+1