(E,3S)-3-azaniumyl-7-(9H-fluoren-9-ylmethoxy)-7-oxidanylidene-hept-5-enoate

Systemtic Name: (E,3S)-3-azaniumyl-7-(9H-fluoren-9-ylmethoxy)-7-oxidanylidene-hept-5-enoate Openeye Name: (E,3S)-3-azaniumyl-7-(9H-fluoren-9-ylmethoxy)-7-oxo-hept-5-enoate CAS Name: (E,3S)-3-ammonio-7-(9H-fluoren-9-ylmethoxy)-7-oxo-5-heptenoate IUPAC Name: (E,3S)-3-azaniumyl-7-(9H-fluoren-9-ylmethoxy)-7-oxohept-5-enoate Traditional Name: (E,3S)-3-ammonio-7-(9H-fluoren-9-ylmethoxy)-7-keto-hept-5-enoate Formula: C21H21NO4 MolecularWeight: 351.39574

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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=C/C[C@@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C21H21NO4/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/h1-5,7-11,14,19H,6,12-13,22H2,(H,23,24)/b11-5+/t14-/m0/s1