dihydrogen phosphate; 3-(phenylmethyl)-1,3-benzothiazol-3-ium

Systemtic Name: dihydrogen phosphate; 3-(phenylmethyl)-1,3-benzothiazol-3-ium Openeye Name: 3-benzyl-1,3-benzothiazol-3-ium; dihydrogen phosphate CAS Name: dihydrogen phosphate; 3-(phenylmethyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-benzyl-1,3-benzothiazol-3-ium; dihydrogen phosphate Traditional Name: 3-benzyl-1,3-benzothiazol-3-ium; dihydrogen phosphate Formula: C14H14NO4PS MolecularWeight: 323.304021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.OP(=O)(O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.OP(=O)(O)[O-]

InChI

InChI=1S/C14H12NS.H3O4P/c1-2-6-12(7-3-1)10-15-11-16-14-9-5-4-8-13(14)15;1-5(2,3)4/h1-9,11H,10H2;(H3,1,2,3,4)/q+1;/p-1