(Z,3S)-3-azaniumyl-7-(9H-fluoren-9-ylmethoxy)-7-oxidanylidene-6-phenyl-hept-5-enoate

Systemtic Name: (Z,3S)-3-azaniumyl-7-(9H-fluoren-9-ylmethoxy)-7-oxidanylidene-6-phenyl-hept-5-enoate Openeye Name: (Z,3S)-3-azaniumyl-7-(9H-fluoren-9-ylmethoxy)-7-oxo-6-phenyl-hept-5-enoate CAS Name: (Z,3S)-3-ammonio-7-(9H-fluoren-9-ylmethoxy)-7-oxo-6-phenyl-5-heptenoate IUPAC Name: (Z,3S)-3-azaniumyl-7-(9H-fluoren-9-ylmethoxy)-7-oxo-6-phenylhept-5-enoate Traditional Name: (Z,3S)-3-ammonio-7-(9H-fluoren-9-ylmethoxy)-7-keto-6-phenyl-hept-5-enoate Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CCC(CC(=O)[O-])[NH3+])C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

C1=CC=C(C=C1)/C(=C/C[C@@H](CC(=O)[O-])[NH3+])/C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C27H25NO4/c28-19(16-26(29)30)14-15-20(18-8-2-1-3-9-18)27(31)32-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,15,19,25H,14,16-17,28H2,(H,29,30)/b20-15-/t19-/m0/s1