(4-dodecoxynaphthalen-1-yl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate hydroxide

Systemtic Name: (4-dodecoxynaphthalen-1-yl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate hydroxide Openeye Name: (4-dodecoxy-1-naphthyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate hydroxide CAS Name: (4-dodecoxy-1-naphthalenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate hydroxide IUPAC Name: (4-dodecoxynaphthalen-1-yl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate hydroxide Traditional Name: (4-lauryloxy-1-naphthyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate hydroxide Formula: C32H42NO6PS MolecularWeight: 599.717741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C2=CC=CC=C21)OP(=O)(O)OC3=CC=CC(=C3)C[N+]4=CSC=C4.[OH-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C2=CC=CC=C21)OP(=O)(O)OC3=CC=CC(=C3)C[N+]4=CSC=C4.[OH-]

InChI

InChI=1S/C32H40NO5PS.H2O/c1-2-3-4-5-6-7-8-9-10-13-22-36-31-19-20-32(30-18-12-11-17-29(30)31)38-39(34,35)37-28-16-14-15-27(24-28)25-33-21-23-40-26-33;/h11-12,14-21,23-24,26H,2-10,13,22,25H2,1H3;1H2