6-chloranyl-4-methyl-3-(2-oxidanylpropyl)-7-phenylmethoxy-chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-3-(2-oxidanylpropyl)-7-phenylmethoxy-chromen-2-one Openeye Name: 7-benzyloxy-6-chloro-3-(2-hydroxypropyl)-4-methyl-chromen-2-one CAS Name: 6-chloro-3-(2-hydroxypropyl)-4-methyl-7-phenylmethoxy-1-benzopyran-2-one IUPAC Name: 6-chloro-3-(2-hydroxypropyl)-4-methyl-7-phenylmethoxychromen-2-one Traditional Name: 7-benzoxy-6-chloro-3-(2-hydroxypropyl)-4-methyl-coumarin Formula: C20H19ClO4 MolecularWeight: 358.81546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=CC=C3)CC(C)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=CC=C3)CC(C)O

InChI

InChI=1S/C20H19ClO4/c1-12(22)8-16-13(2)15-9-17(21)19(10-18(15)25-20(16)23)24-11-14-6-4-3-5-7-14/h3-7,9-10,12,22H,8,11H2,1-2H3