3,4-bis(oxidanylidene)-1-phenyl-5-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-yl-pent-1-en-1-olate

Systemtic Name: 3,4-bis(oxidanylidene)-1-phenyl-5-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-yl-pent-1-en-1-olate Openeye Name: 3,4-dioxo-1-phenyl-5-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-yl-pent-1-en-1-olate CAS Name: 3,4-dioxo-1-phenyl-5-(1-spiro[4H-isoquinoline-3,1'-cyclohexane]yl)-1-penten-1-olate IUPAC Name: 3,4-dioxo-1-phenyl-5-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylpent-1-en-1-olate Traditional Name: 3,4-diketo-1-phenyl-5-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-yl-pent-1-en-1-olate Formula: C25H24NO3- MolecularWeight: 386.46296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C(=N2)CC(=O)C(=O)C=C(C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C(=N2)CC(=O)C(=O)C=C(C4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H25NO3/c27-22(18-9-3-1-4-10-18)16-24(29)23(28)15-21-20-12-6-5-11-19(20)17-25(26-21)13-7-2-8-14-25/h1,3-6,9-12,16,27H,2,7-8,13-15,17H2/p-1