7-(3-oxidanylpentan-3-yl)adamantane-1,3,5-tricarboxylic acid

Systemtic Name: 7-(3-oxidanylpentan-3-yl)adamantane-1,3,5-tricarboxylic acid Openeye Name: 7-(1-ethyl-1-hydroxy-propyl)adamantane-1,3,5-tricarboxylic acid CAS Name: 7-(3-hydroxypentan-3-yl)adamantane-1,3,5-tricarboxylic acid IUPAC Name: 7-(3-hydroxypentan-3-yl)adamantane-1,3,5-tricarboxylic acid Traditional Name: 7-(1-ethyl-1-hydroxy-propyl)adamantane-1,3,5-tricarboxylic acid Formula: C18H26O7 MolecularWeight: 354.39484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C12CC3(CC(C1)(CC(C3)(C2)C(=O)O)C(=O)O)C(=O)O)O

Isomeric SMILES

CCC(CC)(C12CC3(CC(C1)(CC(C3)(C2)C(=O)O)C(=O)O)C(=O)O)O

InChI

InChI=1S/C18H26O7/c1-3-18(25,4-2)17-8-14(11(19)20)5-15(9-17,12(21)22)7-16(6-14,10-17)13(23)24/h25H,3-10H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)