(3,5-ditert-butylphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3,5-ditert-butylphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3,5-ditert-butylphenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3,5-ditert-butylphenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3,5-ditert-butylphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3,5-ditert-butylphenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C24H31NO4PS+ MolecularWeight: 460.546001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30NO4PS/c1-23(2,3)19-13-20(24(4,5)6)15-22(14-19)29-30(26,27)28-21-9-7-8-18(12-21)16-25-10-11-31-17-25/h7-15,17H,16H2,1-6H3/p+1