3-(1-adamantyl)-4-(3-oxidanylpropyl)benzoate

Systemtic Name: 3-(1-adamantyl)-4-(3-oxidanylpropyl)benzoate Openeye Name: 3-(1-adamantyl)-4-(3-hydroxypropyl)benzoate CAS Name: 3-(1-adamantyl)-4-(3-hydroxypropyl)benzoate IUPAC Name: 3-(1-adamantyl)-4-(3-hydroxypropyl)benzoate Traditional Name: 3-(1-adamantyl)-4-(3-hydroxypropyl)benzoate Formula: C20H25O3- MolecularWeight: 313.4107

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C(=O)[O-])CCCO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C(=O)[O-])CCCO

InChI

InChI=1S/C20H26O3/c21-5-1-2-16-3-4-17(19(22)23)9-18(16)20-10-13-6-14(11-20)8-15(7-13)12-20/h3-4,9,13-15,21H,1-2,5-8,10-12H2,(H,22,23)/p-1