(3S)-3-azaniumyl-7-(9H-fluoren-9-ylmethoxy)-7-oxidanylidene-hept-5-ynoate

Systemtic Name: (3S)-3-azaniumyl-7-(9H-fluoren-9-ylmethoxy)-7-oxidanylidene-hept-5-ynoate Openeye Name: (3S)-3-azaniumyl-7-(9H-fluoren-9-ylmethoxy)-7-oxo-hept-5-ynoate CAS Name: (3S)-3-ammonio-7-(9H-fluoren-9-ylmethoxy)-7-oxo-5-heptynoate IUPAC Name: (3S)-3-azaniumyl-7-(9H-fluoren-9-ylmethoxy)-7-oxohept-5-ynoate Traditional Name: (3S)-3-ammonio-7-(9H-fluoren-9-ylmethoxy)-7-keto-hept-5-ynoate Formula: C21H19NO4 MolecularWeight: 349.37986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)C#CCC(CC(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)C#CC[C@@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C21H19NO4/c22-14(12-20(23)24)6-5-11-21(25)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19H,6,12-13,22H2,(H,23,24)/t14-/m0/s1