2-hydroxyethyl 3-nitro-9-oxidanylidene-thioxanthene-1-carboxylate

Systemtic Name: 2-hydroxyethyl 3-nitro-9-oxidanylidene-thioxanthene-1-carboxylate Openeye Name: 2-hydroxyethyl 3-nitro-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-nitro-9-oxo-1-thioxanthenecarboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3-nitro-9-oxothioxanthene-1-carboxylate Traditional Name: 9-keto-3-nitro-thioxanthene-1-carboxylic acid 2-hydroxyethyl ester Formula: C16H11NO6S MolecularWeight: 345.32664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3C(=O)OCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3C(=O)OCCO)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO6S/c18-5-6-23-16(20)11-7-9(17(21)22)8-13-14(11)15(19)10-3-1-2-4-12(10)24-13/h1-4,7-8,18H,5-6H2