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

Systemtic Name: 2-(4-methoxy-9-oxidanylidene-thioxanthen-1-yl)oxyethanoic acid Openeye Name: 2-(4-methoxy-9-oxo-thioxanthen-1-yl)oxyacetic acid CAS Name: 2-[(4-methoxy-9-oxo-1-thioxanthenyl)oxy]acetic acid IUPAC Name: 2-(4-methoxy-9-oxothioxanthen-1-yl)oxyacetic acid Traditional Name: 2-(9-keto-4-methoxy-thioxanthen-1-yl)oxyacetic acid Formula: C16H12O5S MolecularWeight: 316.32848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OCC(=O)O)C(=O)C3=CC=CC=C3S2

Isomeric SMILES

COC1=C2C(=C(C=C1)OCC(=O)O)C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C16H12O5S/c1-20-11-7-6-10(21-8-13(17)18)14-15(19)9-4-2-3-5-12(9)22-16(11)14/h2-7H,8H2,1H3,(H,17,18)