3,8-bis(2-methyl-2-oxidanyl-propanoyl)benzo[b][1]benzothiepine-5,6-dione

Systemtic Name: 3,8-bis(2-methyl-2-oxidanyl-propanoyl)benzo[b][1]benzothiepine-5,6-dione Openeye Name: 3,8-bis(2-hydroxy-2-methyl-propanoyl)benzo[b][1]benzothiepine-5,6-dione CAS Name: 3,8-bis(2-hydroxy-2-methyl-1-oxopropyl)benzo[b][1]benzothiepin-5,6-dione IUPAC Name: 3,8-bis(2-hydroxy-2-methylpropanoyl)benzo[b][1]benzothiepine-5,6-dione Traditional Name: 3,8-bis(2-hydroxy-2-methyl-propanoyl)benzo[b][1]benzothiepin-5,6-quinone Formula: C22H20O6S MolecularWeight: 412.4556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)C(C)(C)O)C(=O)C2=O)O

Isomeric SMILES

CC(C)(C(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)C(C)(C)O)C(=O)C2=O)O

InChI

InChI=1S/C22H20O6S/c1-21(2,27)19(25)11-5-7-15-13(9-11)17(23)18(24)14-10-12(6-8-16(14)29-15)20(26)22(3,4)28/h5-10,27-28H,1-4H3