6,6-diethyl-2,3-bis(oxidanyl)benzo[b][1]benzothiepin-5-one

Systemtic Name: 6,6-diethyl-2,3-bis(oxidanyl)benzo[b][1]benzothiepin-5-one Openeye Name: 6,6-diethyl-2,3-dihydroxy-benzo[b][1]benzothiepin-5-one CAS Name: 6,6-diethyl-2,3-dihydroxy-5-benzo[b][1]benzothiepinone IUPAC Name: 6,6-diethyl-2,3-dihydroxybenzo[b][1]benzothiepin-5-one Traditional Name: 6,6-diethyl-2,3-dihydroxy-benzo[b][1]benzothiepin-5-one Formula: C18H18O3S MolecularWeight: 314.39872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2SC3=CC(=C(C=C3C1=O)O)O)CC

Isomeric SMILES

CCC1(C2=CC=CC=C2SC3=CC(=C(C=C3C1=O)O)O)CC

InChI

InChI=1S/C18H18O3S/c1-3-18(4-2)12-7-5-6-8-15(12)22-16-10-14(20)13(19)9-11(16)17(18)21/h5-10,19-20H,3-4H2,1-2H3