(6E)-2,4-ditert-butyl-6-[5-(phenylsulfonyl)-1,2-dihydrobenzotriazol-4-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-2,4-ditert-butyl-6-[5-(phenylsulfonyl)-1,2-dihydrobenzotriazol-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[5-(benzenesulfonyl)-1,2-dihydrobenzotriazol-4-ylidene]-2,4-ditert-butyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[5-(benzenesulfonyl)-1,2-dihydrobenzotriazol-4-ylidene]-2,4-ditert-butyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[5-(benzenesulfonyl)-1,2-dihydrobenzotriazol-4-ylidene]-2,4-ditert-butylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(5-besyl-1,2-dihydrobenzotriazol-4-ylidene)-2,4-ditert-butyl-cyclohexa-2,4-dien-1-one Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=CC=C3C2=NNN3)S(=O)(=O)C4=CC=CC=C4)C(=O)C(=C1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C/C(=C/2\C(=CC=C3C2=NNN3)S(=O)(=O)C4=CC=CC=C4)/C(=O)C(=C1)C(C)(C)C

InChI

InChI=1S/C26H29N3O3S/c1-25(2,3)16-14-18(24(30)19(15-16)26(4,5)6)22-21(13-12-20-23(22)28-29-27-20)33(31,32)17-10-8-7-9-11-17/h7-15,27,29H,1-6H3/b22-18-