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

Systemtic Name: 4-[3-(4-carboxyphenyl)-1-adamantyl]benzoic acid Openeye Name: 4-[3-(4-carboxyphenyl)-1-adamantyl]benzoic acid CAS Name: 4-[3-(4-carboxyphenyl)-1-adamantyl]benzoic acid IUPAC Name: 4-[3-(4-carboxyphenyl)-1-adamantyl]benzoic acid Traditional Name: 4-[3-(4-carboxyphenyl)-1-adamantyl]benzoic acid Formula: C24H24O4 MolecularWeight: 376.44496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24O4/c25-21(26)17-1-5-19(6-2-17)23-10-15-9-16(11-23)13-24(12-15,14-23)20-7-3-18(4-8-20)22(27)28/h1-8,15-16H,9-14H2,(H,25,26)(H,27,28)