3-[1-[4-(2-chloroethyl)phenyl]butyl]-2-oxidanyl-chromen-4-one

Systemtic Name: 3-[1-[4-(2-chloroethyl)phenyl]butyl]-2-oxidanyl-chromen-4-one Openeye Name: 3-[1-[4-(2-chloroethyl)phenyl]butyl]-2-hydroxy-chromen-4-one CAS Name: 3-[1-[4-(2-chloroethyl)phenyl]butyl]-2-hydroxy-1-benzopyran-4-one IUPAC Name: 3-[1-[4-(2-chloroethyl)phenyl]butyl]-2-hydroxychromen-4-one Traditional Name: 3-[1-[4-(2-chloroethyl)phenyl]butyl]-2-hydroxy-chromone Formula: C21H21ClO3 MolecularWeight: 356.84264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)CCCl)C2=C(OC3=CC=CC=C3C2=O)O

Isomeric SMILES

CCCC(C1=CC=C(C=C1)CCCl)C2=C(OC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C21H21ClO3/c1-2-5-16(15-10-8-14(9-11-15)12-13-22)19-20(23)17-6-3-4-7-18(17)25-21(19)24/h3-4,6-11,16,24H,2,5,12-13H2,1H3