8-[[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxymethyl]-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-[[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxymethyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl]oxymethyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl]oxymethyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[[2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl]oxymethyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[[2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl]oxymethyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C29H25ClO7 MolecularWeight: 520.9576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC(=CC5=C4OCOC5)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC(=CC5=C4OCOC5)C(=O)O

InChI

InChI=1S/C29H25ClO7/c1-29(2,3)20-6-4-16(5-7-20)26-27(24(31)22-12-21(30)8-9-23(22)37-26)35-14-19-11-17(28(32)33)10-18-13-34-15-36-25(18)19/h4-12H,13-15H2,1-3H3,(H,32,33)