2-methoxy-3-[4-(2-thioxanthen-9-ylideneethoxy)phenyl]propanoic acid

Systemtic Name: 2-methoxy-3-[4-(2-thioxanthen-9-ylideneethoxy)phenyl]propanoic acid Openeye Name: 2-methoxy-3-[4-(2-thioxanthen-9-ylideneethoxy)phenyl]propanoic acid CAS Name: 2-methoxy-3-[4-[2-(9-thioxanthenylidene)ethoxy]phenyl]propanoic acid IUPAC Name: 2-methoxy-3-[4-(2-thioxanthen-9-ylideneethoxy)phenyl]propanoic acid Traditional Name: 2-methoxy-3-[4-(2-thioxanthen-9-ylideneethoxy)phenyl]propionic acid Formula: C25H22O4S MolecularWeight: 418.50478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)OCC=C2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)O

Isomeric SMILES

COC(CC1=CC=C(C=C1)OCC=C2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C25H22O4S/c1-28-22(25(26)27)16-17-10-12-18(13-11-17)29-15-14-19-20-6-2-4-8-23(20)30-24-9-5-3-7-21(19)24/h2-14,22H,15-16H2,1H3,(H,26,27)