(E)-3-(2,2-dimethyl-4-phenyl-7-propoxy-chromen-6-yl)-2-fluoranyl-but-2-enoic acid

Systemtic Name: (E)-3-(2,2-dimethyl-4-phenyl-7-propoxy-chromen-6-yl)-2-fluoranyl-but-2-enoic acid Openeye Name: (E)-3-(2,2-dimethyl-4-phenyl-7-propoxy-chromen-6-yl)-2-fluoro-but-2-enoic acid CAS Name: (E)-3-(2,2-dimethyl-4-phenyl-7-propoxy-1-benzopyran-6-yl)-2-fluoro-2-butenoic acid IUPAC Name: (E)-3-(2,2-dimethyl-4-phenyl-7-propoxychromen-6-yl)-2-fluorobut-2-enoic acid Traditional Name: (E)-3-(2,2-dimethyl-4-phenyl-7-propoxy-chromen-6-yl)-2-fluoro-but-2-enoic acid Formula: C24H25FO4 MolecularWeight: 396.451303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)OC(C=C2C3=CC=CC=C3)(C)C)C(=C(C(=O)O)F)C

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)OC(C=C2C3=CC=CC=C3)(C)C)/C(=C(\C(=O)O)/F)/C

InChI

InChI=1S/C24H25FO4/c1-5-11-28-20-13-21-18(12-17(20)15(2)22(25)23(26)27)19(14-24(3,4)29-21)16-9-7-6-8-10-16/h6-10,12-14H,5,11H2,1-4H3,(H,26,27)/b22-15+