6-[4-[2,4-bis(chloranyl)phenoxy]but-2-ynylsulfanyl]chromen-2-one

Systemtic Name: 6-[4-[2,4-bis(chloranyl)phenoxy]but-2-ynylsulfanyl]chromen-2-one Openeye Name: 6-[4-(2,4-dichlorophenoxy)but-2-ynylsulfanyl]chromen-2-one CAS Name: 6-[4-(2,4-dichlorophenoxy)but-2-ynylthio]-1-benzopyran-2-one IUPAC Name: 6-[4-(2,4-dichlorophenoxy)but-2-ynylsulfanyl]chromen-2-one Traditional Name: 6-[4-(2,4-dichlorophenoxy)but-2-ynylthio]coumarin Formula: C19H12Cl2O3S MolecularWeight: 391.26778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=O)O2)C=C1SCC#CCOC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC2=C(C=CC(=O)O2)C=C1SCC#CCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H12Cl2O3S/c20-14-4-6-18(16(21)12-14)23-9-1-2-10-25-15-5-7-17-13(11-15)3-8-19(22)24-17/h3-8,11-12H,9-10H2