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4-[3-(4-carboxyphenyl)-5-methyl-1-adamantyl]benzoic acid

4-[3-(4-carboxyphenyl)-5-methyl-1-adamantyl]benzoic acid

Systemtic Name:4-[3-(4-carboxyphenyl)-5-methyl-1-adamantyl]benzoic acid
Openeye Name:4-[3-(4-carboxyphenyl)-5-methyl-1-adamantyl]benzoic acid
CAS Name:4-[3-(4-carboxyphenyl)-5-methyl-1-adamantyl]benzoic acid
IUPAC Name:4-[3-(4-carboxyphenyl)-5-methyl-1-adamantyl]benzoic acid
Traditional Name:4-[3-(4-carboxyphenyl)-5-methyl-1-adamantyl]benzoic acid
Formula: C25H26O4
MolecularWeight: 390.47154
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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O


Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O


InChI

InChI=1S/C25H26O4/c1-23-10-16-11-24(13-23,19-6-2-17(3-7-19)21(26)27)15-25(12-16,14-23)20-8-4-18(5-9-20)22(28)29/h2-9,16H,10-15H2,1H3,(H,26,27)(H,28,29)


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