(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-tert-butylbenzylidene)-3-keto-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C24H27NO3 MolecularWeight: 377.47608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCC4

InChI

InChI=1S/C24H27NO3/c1-24(2,3)17-8-6-16(7-9-17)14-21-22(27)18-10-11-20(26)19(23(18)28-21)15-25-12-4-5-13-25/h6-11,14,26H,4-5,12-13,15H2,1-3H3/b21-14-