[6-chloranyl-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-3-yl] 4-tert-butylbenzoate

Systemtic Name: [6-chloranyl-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-3-yl] 4-tert-butylbenzoate Openeye Name: [6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-chromen-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [6-chloro-2-(3,4-dimethoxyphenyl)-4-keto-chromen-3-yl] ester Formula: C28H25ClO6 MolecularWeight: 492.9475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(OC3=C(C2=O)C=C(C=C3)Cl)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(OC3=C(C2=O)C=C(C=C3)Cl)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H25ClO6/c1-28(2,3)18-9-6-16(7-10-18)27(31)35-26-24(30)20-15-19(29)11-13-21(20)34-25(26)17-8-12-22(32-4)23(14-17)33-5/h6-15H,1-5H3