(3-tetradecoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-tetradecoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-tetradecoxyphenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-tetradecoxyphenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-tetradecoxyphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-myristyloxyphenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C30H43NO5PS+ MolecularWeight: 560.704881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42NO5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-34-28-17-15-19-30(24-28)36-37(32,33)35-29-18-14-16-27(23-29)25-31-20-22-38-26-31/h14-20,22-24,26H,2-13,21,25H2,1H3/p+1