2-(2-hydroxyethyloxy)ethyl 3-nitro-9-oxidanylidene-thioxanthene-1-carboxylate

Systemtic Name: 2-(2-hydroxyethyloxy)ethyl 3-nitro-9-oxidanylidene-thioxanthene-1-carboxylate Openeye Name: 2-(2-hydroxyethoxy)ethyl 3-nitro-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-nitro-9-oxo-1-thioxanthenecarboxylic acid 2-(2-hydroxyethoxy)ethyl ester IUPAC Name: 2-(2-hydroxyethoxy)ethyl 3-nitro-9-oxothioxanthene-1-carboxylate Traditional Name: 9-keto-3-nitro-thioxanthene-1-carboxylic acid 2-(2-hydroxyethoxy)ethyl ester Formula: C18H15NO7S MolecularWeight: 389.3792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO7S/c20-5-6-25-7-8-26-18(22)13-9-11(19(23)24)10-15-16(13)17(21)12-3-1-2-4-14(12)27-15/h1-4,9-10,20H,5-8H2