(6-dodecoxynaphthalen-2-yl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (6-dodecoxynaphthalen-2-yl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (6-dodecoxy-2-naphthyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (6-dodecoxy-2-naphthalenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (6-dodecoxynaphthalen-2-yl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (6-lauryloxy-2-naphthyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C32H41NO5PS+ MolecularWeight: 582.710401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)OP(=O)(O)OC3=CC=CC(=C3)C[N+]4=CSC=C4

Isomeric SMILES

CCCCCCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)OP(=O)(O)OC3=CC=CC(=C3)C[N+]4=CSC=C4

InChI

InChI=1S/C32H40NO5PS/c1-2-3-4-5-6-7-8-9-10-11-20-36-30-17-15-29-24-32(18-16-28(29)23-30)38-39(34,35)37-31-14-12-13-27(22-31)25-33-19-21-40-26-33/h12-19,21-24,26H,2-11,20,25H2,1H3/p+1