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

Systemtic Name: methyl 8-[[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxymethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: methyl 8-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl]oxymethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl]oxymethyl]-4H-1,3-benzodioxin-6-carboxylic acid methyl ester IUPAC Name: methyl 8-[[2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl]oxymethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl]oxymethyl]-4H-1,3-benzodioxin-6-carboxylic acid methyl ester Formula: C30H27ClO7 MolecularWeight: 534.98418

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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)OC

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)OC

InChI

InChI=1S/C30H27ClO7/c1-30(2,3)21-7-5-17(6-8-21)27-28(25(32)23-13-22(31)9-10-24(23)38-27)36-15-20-12-18(29(33)34-4)11-19-14-35-16-37-26(19)20/h5-13H,14-16H2,1-4H3