1,1-bis(oxidanylidene)-7-propan-2-yl-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one

Systemtic Name: 1,1-bis(oxidanylidene)-7-propan-2-yl-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one Openeye Name: 7-isopropyl-1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one CAS Name: 1,1-dioxo-7-propan-2-yl-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one IUPAC Name: 1,1-dioxo-7-propan-2-yl-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one Traditional Name: 7-isopropyl-1,1-diketo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one Formula: C13H16O3S MolecularWeight: 252.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)S(=O)(=O)CCCC2=O

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)S(=O)(=O)CCCC2=O

InChI

InChI=1S/C13H16O3S/c1-9(2)10-5-6-13-11(8-10)12(14)4-3-7-17(13,15)16/h5-6,8-9H,3-4,7H2,1-2H3