7-[3-(2,4-ditert-butylphenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 7-[3-(2,4-ditert-butylphenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 7-[3-(2,4-ditert-butylphenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid CAS Name: 7-[3-(2,4-ditert-butylphenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(2,4-ditert-butylphenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid Traditional Name: 7-[3-(2,4-ditert-butylphenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylic acid Formula: C27H32O7 MolecularWeight: 468.53878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(COC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(COC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)O)O)C(C)(C)C

InChI

InChI=1S/C27H32O7/c1-26(2,3)16-7-10-22(20(11-16)27(4,5)6)33-15-17(28)14-32-18-8-9-19-21(29)13-24(25(30)31)34-23(19)12-18/h7-13,17,28H,14-15H2,1-6H3,(H,30,31)