4-[4-[2,4-bis(chloranyl)phenoxy]but-2-ynylsulfanyl]-3-prop-2-enyl-chromen-2-one

Systemtic Name: 4-[4-[2,4-bis(chloranyl)phenoxy]but-2-ynylsulfanyl]-3-prop-2-enyl-chromen-2-one Openeye Name: 3-allyl-4-[4-(2,4-dichlorophenoxy)but-2-ynylsulfanyl]chromen-2-one CAS Name: 4-[4-(2,4-dichlorophenoxy)but-2-ynylthio]-3-prop-2-enyl-1-benzopyran-2-one IUPAC Name: 4-[4-(2,4-dichlorophenoxy)but-2-ynylsulfanyl]-3-prop-2-enylchromen-2-one Traditional Name: 3-allyl-4-[4-(2,4-dichlorophenoxy)but-2-ynylthio]coumarin Formula: C22H16Cl2O3S MolecularWeight: 431.33164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C2=CC=CC=C2OC1=O)SCC#CCOC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C=CCC1=C(C2=CC=CC=C2OC1=O)SCC#CCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H16Cl2O3S/c1-2-7-17-21(16-8-3-4-9-19(16)27-22(17)25)28-13-6-5-12-26-20-11-10-15(23)14-18(20)24/h2-4,8-11,14H,1,7,12-13H2