2-[4-(3-methoxy-9-oxidanyl-10-oxidanylidene-thioxanthen-9-yl)phenyl]propanoic acid

Systemtic Name: 2-[4-(3-methoxy-9-oxidanyl-10-oxidanylidene-thioxanthen-9-yl)phenyl]propanoic acid Openeye Name: 2-[4-(9-hydroxy-3-methoxy-10-oxo-thioxanthen-9-yl)phenyl]propanoic acid CAS Name: 2-[4-(9-hydroxy-3-methoxy-10-oxo-9-thioxanthenyl)phenyl]propanoic acid IUPAC Name: 2-[4-(9-hydroxy-3-methoxy-10-oxothioxanthen-9-yl)phenyl]propanoic acid Traditional Name: 2-[4-(9-hydroxy-10-keto-3-methoxy-thioxanthen-9-yl)phenyl]propionic acid Formula: C23H20O5S MolecularWeight: 408.4669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)OC)S(=O)C4=CC=CC=C42)O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)OC)S(=O)C4=CC=CC=C42)O)C(=O)O

InChI

InChI=1S/C23H20O5S/c1-14(22(24)25)15-7-9-16(10-8-15)23(26)18-5-3-4-6-20(18)29(27)21-13-17(28-2)11-12-19(21)23/h3-14,26H,1-2H3,(H,24,25)