4-[3-tert-butyl-4-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid

Systemtic Name: 4-[3-tert-butyl-4-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid Openeye Name: 4-[3-tert-butyl-4-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid CAS Name: 4-[3-tert-butyl-4-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid IUPAC Name: 4-[3-tert-butyl-4-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid Traditional Name: 4-[3-tert-butyl-4-(3,4-dicarboxyphenoxy)phenoxy]phthalic acid Formula: C26H22O10 MolecularWeight: 494.44688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C26H22O10/c1-26(2,3)20-12-15(35-13-4-7-16(22(27)28)18(10-13)24(31)32)6-9-21(20)36-14-5-8-17(23(29)30)19(11-14)25(33)34/h4-12H,1-3H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)