7-tert-butyl-9-oxidanylidene-thioxanthene-3-carboxylic acid

Systemtic Name: 7-tert-butyl-9-oxidanylidene-thioxanthene-3-carboxylic acid Openeye Name: 7-tert-butyl-9-oxo-thioxanthene-3-carboxylic acid CAS Name: 7-tert-butyl-9-oxo-3-thioxanthenecarboxylic acid IUPAC Name: 7-tert-butyl-9-oxothioxanthene-3-carboxylic acid Traditional Name: 7-tert-butyl-9-keto-thioxanthene-3-carboxylic acid Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O3S/c1-18(2,3)11-5-7-14-13(9-11)16(19)12-6-4-10(17(20)21)8-15(12)22-14/h4-9H,1-3H3,(H,20,21)