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4-[3-(3,4-dicarboxyphenyl)-1-adamantyl]phthalic acid

4-[3-(3,4-dicarboxyphenyl)-1-adamantyl]phthalic acid

Systemtic Name:4-[3-(3,4-dicarboxyphenyl)-1-adamantyl]phthalic acid
Openeye Name:4-[3-(3,4-dicarboxyphenyl)-1-adamantyl]phthalic acid
CAS Name:4-[3-(3,4-dicarboxyphenyl)-1-adamantyl]phthalic acid
IUPAC Name:4-[3-(3,4-dicarboxyphenyl)-1-adamantyl]phthalic acid
Traditional Name:4-[3-(3,4-dicarboxyphenyl)-1-adamantyl]phthalic acid
Formula: C26H24O8
MolecularWeight: 464.46396
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=CC(=C(C=C4)C(=O)O)C(=O)O)C5=CC(=C(C=C5)C(=O)O)C(=O)O


Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C4=CC(=C(C=C4)C(=O)O)C(=O)O)C5=CC(=C(C=C5)C(=O)O)C(=O)O


InChI

InChI=1S/C26H24O8/c27-21(28)17-3-1-15(6-19(17)23(31)32)25-8-13-5-14(9-25)11-26(10-13,12-25)16-2-4-18(22(29)30)20(7-16)24(33)34/h1-4,6-7,13-14H,5,8-12H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)


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