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

Systemtic Name: (3-dodecoxy-2-methoxy-phenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-dodecoxy-2-methoxy-phenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-dodecoxy-2-methoxyphenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-dodecoxy-2-methoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-lauryloxy-2-methoxy-phenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C29H41NO6PS+ MolecularWeight: 562.677701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)OC

InChI

InChI=1S/C29H40NO6PS/c1-3-4-5-6-7-8-9-10-11-12-20-34-27-17-14-18-28(29(27)33-2)36-37(31,32)35-26-16-13-15-25(22-26)23-30-19-21-38-24-30/h13-19,21-22,24H,3-12,20,23H2,1-2H3/p+1