(2S,4S)-2-[3,5-bis(iodanyl)-4-phenylmethoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-[3,5-bis(iodanyl)-4-phenylmethoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-(4-benzyloxy-3,5-diiodo-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-(3,5-diiodo-4-phenylmethoxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-(3,5-diiodo-4-phenylmethoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-(4-benzoxy-3,5-diiodo-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C17H15I2NO3S MolecularWeight: 567.17984

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=CC(=C(C(=C2)I)OCC3=CC=CC=C3)I)C(=O)[O-]

Isomeric SMILES

C1[C@@H]([NH2+][C@@H](S1)C2=CC(=C(C(=C2)I)OCC3=CC=CC=C3)I)C(=O)[O-]

InChI

InChI=1S/C17H15I2NO3S/c18-12-6-11(16-20-14(9-24-16)17(21)22)7-13(19)15(12)23-8-10-4-2-1-3-5-10/h1-7,14,16,20H,8-9H2,(H,21,22)/t14-,16+/m1/s1