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

Systemtic Name: (2-methoxy-3-tetradecoxy-phenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-methoxy-3-tetradecoxy-phenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-methoxy-3-tetradecoxyphenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-methoxy-3-tetradecoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-methoxy-3-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=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)OC

Isomeric SMILES

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

InChI

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