6,9-dimethyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one

Systemtic Name: 6,9-dimethyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one Openeye Name: 6,9-dimethyl-1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one CAS Name: 6,9-dimethyl-1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one IUPAC Name: 6,9-dimethyl-1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one Traditional Name: 1,1-diketo-6,9-dimethyl-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one Formula: C12H14O3S MolecularWeight: 238.30276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)CCCS(=O)(=O)C2=C(C=C1)C

Isomeric SMILES

CC1=C2C(=O)CCCS(=O)(=O)C2=C(C=C1)C

InChI

InChI=1S/C12H14O3S/c1-8-5-6-9(2)12-11(8)10(13)4-3-7-16(12,14)15/h5-6H,3-4,7H2,1-2H3