6,7a-ditert-butyl-2,3-bis(4-methylphenyl)-3,3a-dihydro-1,2-benzoxazole-4,5-dione

Systemtic Name: 6,7a-ditert-butyl-2,3-bis(4-methylphenyl)-3,3a-dihydro-1,2-benzoxazole-4,5-dione Openeye Name: 6,7a-ditert-butyl-2,3-bis(p-tolyl)-3,3a-dihydro-1,2-benzoxazole-4,5-dione CAS Name: 6,7a-ditert-butyl-2,3-bis(4-methylphenyl)-3,3a-dihydro-1,2-benzoxazole-4,5-dione IUPAC Name: 6,7a-ditert-butyl-2,3-bis(4-methylphenyl)-3,3a-dihydro-1,2-benzoxazole-4,5-dione Traditional Name: 6,7a-ditert-butyl-2,3-bis(p-tolyl)-3,3a-dihydroindoxazene-4,5-quinone Formula: C29H35NO3 MolecularWeight: 445.5931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3C(=O)C(=O)C(=CC3(ON2C4=CC=C(C=C4)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3C(=O)C(=O)C(=CC3(ON2C4=CC=C(C=C4)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C29H35NO3/c1-18-9-13-20(14-10-18)24-23-26(32)25(31)22(27(3,4)5)17-29(23,28(6,7)8)33-30(24)21-15-11-19(2)12-16-21/h9-17,23-24H,1-8H3