4-[2-(3,4-dicarboxyphenoxy)-3-oxidanyl-phenoxy]phthalic acid; propane

Systemtic Name: 4-[2-(3,4-dicarboxyphenoxy)-3-oxidanyl-phenoxy]phthalic acid; propane Openeye Name: 4-[2-(3,4-dicarboxyphenoxy)-3-hydroxy-phenoxy]phthalic acid; propane CAS Name: 4-[2-(3,4-dicarboxyphenoxy)-3-hydroxyphenoxy]phthalic acid; propane IUPAC Name: 4-[2-(3,4-dicarboxyphenoxy)-3-hydroxyphenoxy]phthalic acid; propane Traditional Name: 4-[2-(3,4-dicarboxyphenoxy)-3-hydroxy-phenoxy]phthalic acid; n-propane Formula: C25H22O11 MolecularWeight: 498.43558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14O11.C3H8/c23-16-2-1-3-17(32-10-4-6-12(19(24)25)14(8-10)21(28)29)18(16)33-11-5-7-13(20(26)27)15(9-11)22(30)31;1-3-2/h1-9,23H,(H,24,25)(H,26,27)(H,28,29)(H,30,31);3H2,1-2H3