7,7-bis(3-chloranyl-5-ethylsulfinyl-4-methoxy-phenyl)hept-6-en-2-one

Systemtic Name: 7,7-bis(3-chloranyl-5-ethylsulfinyl-4-methoxy-phenyl)hept-6-en-2-one Openeye Name: 7,7-bis(3-chloro-5-ethylsulfinyl-4-methoxy-phenyl)hept-6-en-2-one CAS Name: 7,7-bis(3-chloro-5-ethylsulfinyl-4-methoxyphenyl)-6-hepten-2-one IUPAC Name: 7,7-bis(3-chloro-5-ethylsulfinyl-4-methoxyphenyl)hept-6-en-2-one Traditional Name: 7,7-bis(3-chloro-5-ethylsulfinyl-4-methoxy-phenyl)hept-6-en-2-one Formula: C25H30Cl2O5S2 MolecularWeight: 545.5387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=C(C(=CC(=C1)C(=CCCCC(=O)C)C2=CC(=C(C(=C2)Cl)OC)S(=O)CC)Cl)OC

Isomeric SMILES

CCS(=O)C1=C(C(=CC(=C1)C(=CCCCC(=O)C)C2=CC(=C(C(=C2)Cl)OC)S(=O)CC)Cl)OC

InChI

InChI=1S/C25H30Cl2O5S2/c1-6-33(29)22-14-17(12-20(26)24(22)31-4)19(11-9-8-10-16(3)28)18-13-21(27)25(32-5)23(15-18)34(30)7-2/h11-15H,6-10H2,1-5H3