(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-iodanyl-2-oxidanyl-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-iodanyl-2-oxidanyl-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-hydroxy-5-iodo-benzoate CAS Name: 2-hydroxy-5-iodobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-hydroxy-5-iodobenzoate Traditional Name: 2-hydroxy-5-iodo-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H14INO4S MolecularWeight: 503.30963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=C(C=CC(=C4)I)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=C(C=CC(=C4)I)O

InChI

InChI=1S/C21H14INO4S/c22-13-9-10-17(24)14(11-13)21(26)27-12-20(25)23-15-5-1-3-7-18(15)28-19-8-4-2-6-16(19)23/h1-11,24H,12H2