2',9-ditert-butyl-4',7-dimethyl-spiro[5H-1,3-benzoxathiepine-4,6'-cyclohexa-2,4-diene]-1',2-dione

Systemtic Name: 2',9-ditert-butyl-4',7-dimethyl-spiro[5H-1,3-benzoxathiepine-4,6'-cyclohexa-2,4-diene]-1',2-dione Openeye Name: 2',9-ditert-butyl-4',7-dimethyl-spiro[5H-1,3-benzoxathiepine-4,6'-cyclohexa-2,4-diene]-1',2-dione CAS Name: 2',9-ditert-butyl-4',7-dimethylspiro[5H-1,3-benzoxathiepin-4,6'-cyclohexa-2,4-diene]-1',2-dione IUPAC Name: 2',9-ditert-butyl-4',7-dimethylspiro[5H-1,3-benzoxathiepine-4,6'-cyclohexa-2,4-diene]-1',2-dione Traditional Name: 2',9-ditert-butyl-4',7-dimethyl-spiro[5H-1,3-benzoxathiepin-4,6'-cyclohexa-2,4-diene]-1',2-quinone Formula: C24H30O3S MolecularWeight: 398.5582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)CC3(C=C(C=C(C3=O)C(C)(C)C)C)SC(=O)O2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)CC3(C=C(C=C(C3=O)C(C)(C)C)C)SC(=O)O2)C(C)(C)C

InChI

InChI=1S/C24H30O3S/c1-14-9-16-13-24(12-15(2)11-18(20(24)25)23(6,7)8)28-21(26)27-19(16)17(10-14)22(3,4)5/h9-12H,13H2,1-8H3