4-chloranyl-3-(4-cyclohexylbutoxy)isochromen-1-one

Systemtic Name: 4-chloranyl-3-(4-cyclohexylbutoxy)isochromen-1-one Openeye Name: 4-chloro-3-(4-cyclohexylbutoxy)isochromen-1-one CAS Name: 4-chloro-3-(4-cyclohexylbutoxy)-2-benzopyran-1-one IUPAC Name: 4-chloro-3-(4-cyclohexylbutoxy)isochromen-1-one Traditional Name: 4-chloro-3-(4-cyclohexylbutoxy)isocoumarin Formula: C19H23ClO3 MolecularWeight: 334.83712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCOC2=C(C3=CC=CC=C3C(=O)O2)Cl

Isomeric SMILES

C1CCC(CC1)CCCCOC2=C(C3=CC=CC=C3C(=O)O2)Cl

InChI

InChI=1S/C19H23ClO3/c20-17-15-11-4-5-12-16(15)18(21)23-19(17)22-13-7-6-10-14-8-2-1-3-9-14/h4-5,11-12,14H,1-3,6-10,13H2