4-[[2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoic acid Openeye Name: 4-[[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-chromen-3-yl]oxymethyl]benzoic acid CAS Name: 4-[[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoic acid IUPAC Name: 4-[[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxochromen-3-yl]oxymethyl]benzoic acid Traditional Name: 4-[[2-(4-tert-butylphenyl)-6-chloro-4-keto-7-methyl-chromen-3-yl]oxymethyl]benzoic acid Formula: C28H25ClO5 MolecularWeight: 476.9481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(C)(C)C)Cl

InChI

InChI=1S/C28H25ClO5/c1-16-13-23-21(14-22(16)29)24(30)26(33-15-17-5-7-19(8-6-17)27(31)32)25(34-23)18-9-11-20(12-10-18)28(2,3)4/h5-14H,15H2,1-4H3,(H,31,32)