4-bromanyl-6-(4,6-ditert-butyl-7-oxidanyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-(4,6-ditert-butyl-7-oxidanyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-(4,6-ditert-butyl-7-hydroxy-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-(4,6-ditert-butyl-7-hydroxy-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-(4,6-ditert-butyl-7-hydroxy-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-(4,6-ditert-butyl-7-hydroxy-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one Formula: C21H24BrNO3 MolecularWeight: 418.32416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C2=C1NC(=C3C=C(C=CC3=O)Br)O2)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C2=C1NC(=C3C=C(C=CC3=O)Br)O2)O)C(C)(C)C

InChI

InChI=1S/C21H24BrNO3/c1-20(2,3)13-10-14(21(4,5)6)17(25)18-16(13)23-19(26-18)12-9-11(22)7-8-15(12)24/h7-10,23,25H,1-6H3