3-[4-(3-carboxy-1-adamantyl)-2,5-dimethyl-phenyl]adamantane-1-carboxylic acid

Systemtic Name: 3-[4-(3-carboxy-1-adamantyl)-2,5-dimethyl-phenyl]adamantane-1-carboxylic acid Openeye Name: 3-[4-(3-carboxy-1-adamantyl)-2,5-dimethyl-phenyl]adamantane-1-carboxylic acid CAS Name: 3-[4-(3-carboxy-1-adamantyl)-2,5-dimethylphenyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[4-(3-carboxy-1-adamantyl)-2,5-dimethylphenyl]adamantane-1-carboxylic acid Traditional Name: 3-[4-(3-carboxy-1-adamantyl)-2,5-dimethyl-phenyl]adamantane-1-carboxylic acid Formula: C30H38O4 MolecularWeight: 462.62032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C23CC4CC(C2)CC(C4)(C3)C(=O)O)C)C56CC7CC(C5)CC(C7)(C6)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C23CC4CC(C2)CC(C4)(C3)C(=O)O)C)C56CC7CC(C5)CC(C7)(C6)C(=O)O

InChI

InChI=1S/C30H38O4/c1-17-3-24(28-9-21-6-22(10-28)14-30(13-21,16-28)26(33)34)18(2)4-23(17)27-7-19-5-20(8-27)12-29(11-19,15-27)25(31)32/h3-4,19-22H,5-16H2,1-2H3,(H,31,32)(H,33,34)