(E)-4-[4-(diphenylmethyl)-2-oxidanylidene-imidazol-1-ium-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)but-2-enoic acid

Systemtic Name: (E)-4-[4-(diphenylmethyl)-2-oxidanylidene-imidazol-1-ium-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)but-2-enoic acid Openeye Name: (E)-4-(4-benzhydryl-2-oxo-imidazol-1-ium-1-yl)-2-tetralin-5-yloxy-but-2-enoic acid CAS Name: (E)-4-[4-(diphenylmethyl)-2-oxo-1-imidazol-1-iumyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-2-butenoic acid IUPAC Name: (E)-4-(4-benzhydryl-2-oxoimidazol-1-ium-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)but-2-enoic acid Traditional Name: (E)-4-(4-benzhydryl-2-keto-imidazol-1-ium-1-yl)-2-tetralin-5-yloxy-but-2-enoic acid Formula: C30H27N2O4+ MolecularWeight: 479.54638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC=C2OC(=CC[N+]3=CC(=NC3=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=CC=C2O/C(=C/C[N+]3=CC(=NC3=O)C(C4=CC=CC=C4)C5=CC=CC=C5)/C(=O)O

InChI

InChI=1S/C30H26N2O4/c33-29(34)27(36-26-17-9-15-21-10-7-8-16-24(21)26)18-19-32-20-25(31-30(32)35)28(22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-6,9,11-15,17-18,20,28H,7-8,10,16,19H2/p+1/b27-18+