(3-methoxy-5-tetradecoxy-phenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-methoxy-5-tetradecoxy-phenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-methoxy-5-tetradecoxy-phenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-methoxy-5-tetradecoxyphenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-methoxy-5-tetradecoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-methoxy-5-myristyloxy-phenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C31H45NO6PS+ MolecularWeight: 590.730861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=CC(=C1)OC)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=CC(=C1)OC)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3

InChI

InChI=1S/C31H44NO6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-36-30-22-29(35-2)23-31(24-30)38-39(33,34)37-28-17-15-16-27(21-28)25-32-18-20-40-26-32/h15-18,20-24,26H,3-14,19,25H2,1-2H3/p+1