3-(2-ethyl-2-oxidanyl-butanoyl)benzo[b][1]benzothiepine-5,6-dione

Systemtic Name: 3-(2-ethyl-2-oxidanyl-butanoyl)benzo[b][1]benzothiepine-5,6-dione Openeye Name: 3-(2-ethyl-2-hydroxy-butanoyl)benzo[b][1]benzothiepine-5,6-dione CAS Name: 3-(2-ethyl-2-hydroxy-1-oxobutyl)benzo[b][1]benzothiepin-5,6-dione IUPAC Name: 3-(2-ethyl-2-hydroxybutanoyl)benzo[b][1]benzothiepine-5,6-dione Traditional Name: 3-(2-ethyl-2-hydroxy-butanoyl)benzo[b][1]benzothiepin-5,6-quinone Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

CCC(CC)(C(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C20H18O4S/c1-3-20(24,4-2)19(23)12-9-10-16-14(11-12)18(22)17(21)13-7-5-6-8-15(13)25-16/h5-11,24H,3-4H2,1-2H3