3-azanylidene-2-(3-tert-butyl-5-ethoxy-4-methoxy-phenyl)-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxylic acid

Systemtic Name: 3-azanylidene-2-(3-tert-butyl-5-ethoxy-4-methoxy-phenyl)-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxylic acid Openeye Name: 2-(3-tert-butyl-5-ethoxy-4-methoxy-phenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxylic acid CAS Name: 2-(3-tert-butyl-5-ethoxy-4-methoxyphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid IUPAC Name: 2-(3-tert-butyl-5-ethoxy-4-methoxyphenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid Traditional Name: 2-(3-tert-butyl-5-ethoxy-4-methoxy-phenyl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxylic acid Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC(=C(C(=C3)C(C)(C)C)OC)OCC)[O-])C(=O)O)OCC

Isomeric SMILES

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC(=C(C(=C3)C(C)(C)C)OC)OCC)[O-])C(=O)O)OCC

InChI

InChI=1S/C26H34N2O6/c1-8-20-16-14-21(33-9-2)18(25(29)30)13-17(16)24(27)28(20,31)15-11-19(26(4,5)6)23(32-7)22(12-15)34-10-3/h11-14,20,27H,8-10H2,1-7H3,(H,29,30)