[3-(2-chloranylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-(4-tert-butylphenoxy)butanoate

Systemtic Name: [3-(2-chloranylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-(4-tert-butylphenoxy)butanoate Openeye Name: [3-(2-chlorophenoxy)-4-oxo-chromen-7-yl] 4-(4-tert-butylphenoxy)butanoate CAS Name: 4-(4-tert-butylphenoxy)butanoic acid [3-(2-chlorophenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chlorophenoxy)-4-oxochromen-7-yl] 4-(4-tert-butylphenoxy)butanoate Traditional Name: 4-(4-tert-butylphenoxy)butyric acid [3-(2-chlorophenoxy)-4-keto-chromen-7-yl] ester Formula: C29H27ClO6 MolecularWeight: 506.97408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC=CC=C4Cl

InChI

InChI=1S/C29H27ClO6/c1-29(2,3)19-10-12-20(13-11-19)33-16-6-9-27(31)35-21-14-15-22-25(17-21)34-18-26(28(22)32)36-24-8-5-4-7-23(24)30/h4-5,7-8,10-15,17-18H,6,9,16H2,1-3H3