2-[4-(9-oxidanylthioxanthen-9-yl)phenyl]propanoic acid

Systemtic Name: 2-[4-(9-oxidanylthioxanthen-9-yl)phenyl]propanoic acid Openeye Name: 2-[4-(9-hydroxythioxanthen-9-yl)phenyl]propanoic acid CAS Name: 2-[4-(9-hydroxy-9-thioxanthenyl)phenyl]propanoic acid IUPAC Name: 2-[4-(9-hydroxythioxanthen-9-yl)phenyl]propanoic acid Traditional Name: 2-[4-(9-hydroxythioxanthen-9-yl)phenyl]propionic acid Formula: C22H18O3S MolecularWeight: 362.44152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2(C3=CC=CC=C3SC4=CC=CC=C42)O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C2(C3=CC=CC=C3SC4=CC=CC=C42)O)C(=O)O

InChI

InChI=1S/C22H18O3S/c1-14(21(23)24)15-10-12-16(13-11-15)22(25)17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)22/h2-14,25H,1H3,(H,23,24)