4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)butanoic acid

Systemtic Name: 4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)butanoic acid Openeye Name: 4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)butanoic acid CAS Name: 4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)butanoic acid IUPAC Name: 4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)butanoic acid Traditional Name: 4-(1,3-dithian-2-ylidene)-4-(4-phenoxyphenyl)butyric acid Formula: C20H20O3S2 MolecularWeight: 372.501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(CCC(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3)SC1

Isomeric SMILES

C1CSC(=C(CCC(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3)SC1

InChI

InChI=1S/C20H20O3S2/c21-19(22)12-11-18(20-24-13-4-14-25-20)15-7-9-17(10-8-15)23-16-5-2-1-3-6-16/h1-3,5-10H,4,11-14H2,(H,21,22)