7-(1-acetyloxyethyl)-9-oxidanylidene-thioxanthene-3-carboxylic acid

Systemtic Name: 7-(1-acetyloxyethyl)-9-oxidanylidene-thioxanthene-3-carboxylic acid Openeye Name: 7-(1-acetoxyethyl)-9-oxo-thioxanthene-3-carboxylic acid CAS Name: 7-(1-acetyloxyethyl)-9-oxo-3-thioxanthenecarboxylic acid IUPAC Name: 7-(1-acetyloxyethyl)-9-oxothioxanthene-3-carboxylic acid Traditional Name: 7-(1-acetoxyethyl)-9-keto-thioxanthene-3-carboxylic acid Formula: C18H14O5S MolecularWeight: 342.36576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)O)OC(=O)C

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)O)OC(=O)C

InChI

InChI=1S/C18H14O5S/c1-9(23-10(2)19)11-4-6-15-14(7-11)17(20)13-5-3-12(18(21)22)8-16(13)24-15/h3-9H,1-2H3,(H,21,22)