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

Systemtic Name: [3-(2,4-dichlorophenyl)-4-oxidanylidene-chromen-7-yl] 4-(4-tert-butylphenoxy)butanoate Openeye Name: [3-(2,4-dichlorophenyl)-4-oxo-chromen-7-yl] 4-(4-tert-butylphenoxy)butanoate CAS Name: 4-(4-tert-butylphenoxy)butanoic acid [3-(2,4-dichlorophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,4-dichlorophenyl)-4-oxochromen-7-yl] 4-(4-tert-butylphenoxy)butanoate Traditional Name: 4-(4-tert-butylphenoxy)butyric acid [3-(2,4-dichlorophenyl)-4-keto-chromen-7-yl] ester Formula: C29H26Cl2O5 MolecularWeight: 525.41974

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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)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C29H26Cl2O5/c1-29(2,3)18-6-9-20(10-7-18)34-14-4-5-27(32)36-21-11-13-23-26(16-21)35-17-24(28(23)33)22-12-8-19(30)15-25(22)31/h6-13,15-17H,4-5,14H2,1-3H3