3-phenylmethoxy-4,5-bis(tritiomethoxy)benzoic acid

Systemtic Name: 3-phenylmethoxy-4,5-bis(tritiomethoxy)benzoic acid Openeye Name: 3-benzyloxy-4,5-bis(tritiomethoxy)benzoic acid CAS Name: 3-phenylmethoxy-4,5-bis(tritiomethoxy)benzoic acid IUPAC Name: 3-phenylmethoxy-4,5-bis(tritiomethoxy)benzoic acid Traditional Name: 3-benzoxy-4,5-bis(tritiomethoxy)benzoic acid Formula: C16H16O5 MolecularWeight: 292.311459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)OCC2=CC=CC=C2)OC

Isomeric SMILES

[3H]COC1=C(C(=CC(=C1)C(=O)O)OCC2=CC=CC=C2)OC[3H]

InChI

InChI=1S/C16H16O5/c1-19-13-8-12(16(17)18)9-14(15(13)20-2)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,17,18)/i1T,2T