2-(1-chloranyl-9-oxidanylidene-thioxanthen-4-yl)oxyethanoic acid

Systemtic Name: 2-(1-chloranyl-9-oxidanylidene-thioxanthen-4-yl)oxyethanoic acid Openeye Name: 2-(1-chloro-9-oxo-thioxanthen-4-yl)oxyacetic acid CAS Name: 2-[(1-chloro-9-oxo-4-thioxanthenyl)oxy]acetic acid IUPAC Name: 2-(1-chloro-9-oxothioxanthen-4-yl)oxyacetic acid Traditional Name: 2-(1-chloro-9-keto-thioxanthen-4-yl)oxyacetic acid Formula: C15H9ClO4S MolecularWeight: 320.74756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3S2)OCC(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3S2)OCC(=O)O)Cl

InChI

InChI=1S/C15H9ClO4S/c16-9-5-6-10(20-7-12(17)18)15-13(9)14(19)8-3-1-2-4-11(8)21-15/h1-6H,7H2,(H,17,18)