3-(3-carboxy-1-adamantyl)-2-propyl-adamantane-1-carboxylic acid

Systemtic Name: 3-(3-carboxy-1-adamantyl)-2-propyl-adamantane-1-carboxylic acid Openeye Name: 3-(3-carboxy-1-adamantyl)-2-propyl-adamantane-1-carboxylic acid CAS Name: 3-(3-carboxy-1-adamantyl)-2-propyl-1-adamantanecarboxylic acid IUPAC Name: 3-(3-carboxy-1-adamantyl)-2-propyladamantane-1-carboxylic acid Traditional Name: 3-(3-carboxy-1-adamantyl)-2-propyl-adamantane-1-carboxylic acid Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2(CC3CC(C2)CC1(C3)C45CC6CC(C4)CC(C6)(C5)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1C2(CC3CC(C2)CC1(C3)C45CC6CC(C4)CC(C6)(C5)C(=O)O)C(=O)O

InChI

InChI=1S/C25H36O4/c1-2-3-19-24(21(28)29)10-17-5-18(11-24)13-25(19,12-17)23-8-15-4-16(9-23)7-22(6-15,14-23)20(26)27/h15-19H,2-14H2,1H3,(H,26,27)(H,28,29)