tert-butyl (1S,2S)-1-cyano-2-ethyl-5-oxidanyl-4,6,11-tris(oxidanylidene)-2,3-dihydrotetracene-1-carboxylate

Systemtic Name: tert-butyl (1S,2S)-1-cyano-2-ethyl-5-oxidanyl-4,6,11-tris(oxidanylidene)-2,3-dihydrotetracene-1-carboxylate Openeye Name: tert-butyl (1S,2S)-1-cyano-2-ethyl-5-hydroxy-4,6,11-trioxo-2,3-dihydrotetracene-1-carboxylate CAS Name: (1S,2S)-1-cyano-2-ethyl-5-hydroxy-4,6,11-trioxo-2,3-dihydrotetracene-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,2S)-1-cyano-2-ethyl-5-hydroxy-4,6,11-trioxo-2,3-dihydrotetracene-1-carboxylate Traditional Name: (1S,2S)-1-cyano-2-ethyl-5-hydroxy-4,6,11-triketo-2,3-dihydrotetracene-1-carboxylic acid tert-butyl ester Formula: C26H23NO6 MolecularWeight: 445.46392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)C2=C(C1(C#N)C(=O)OC(C)(C)C)C=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC[C@H]1CC(=O)C2=C([C@@]1(C#N)C(=O)OC(C)(C)C)C=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H23NO6/c1-5-13-10-18(28)20-17(26(13,12-27)24(32)33-25(2,3)4)11-16-19(23(20)31)22(30)15-9-7-6-8-14(15)21(16)29/h6-9,11,13,31H,5,10H2,1-4H3/t13-,26-/m0/s1