2-hydroxyethyl 9-oxidanylidene-3-(phenylsulfonyl)thioxanthene-1-carboxylate

Systemtic Name: 2-hydroxyethyl 9-oxidanylidene-3-(phenylsulfonyl)thioxanthene-1-carboxylate Openeye Name: 2-hydroxyethyl 3-(benzenesulfonyl)-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-(benzenesulfonyl)-9-oxo-1-thioxanthenecarboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3-(benzenesulfonyl)-9-oxothioxanthene-1-carboxylate Traditional Name: 3-besyl-9-keto-thioxanthene-1-carboxylic acid 2-hydroxyethyl ester Formula: C22H16O6S2 MolecularWeight: 440.48884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C(=C2)C(=O)OCCO)C(=O)C4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C(=C2)C(=O)OCCO)C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C22H16O6S2/c23-10-11-28-22(25)17-12-15(30(26,27)14-6-2-1-3-7-14)13-19-20(17)21(24)16-8-4-5-9-18(16)29-19/h1-9,12-13,23H,10-11H2