3-(1-adamantyl)-4-[2,3-bis(oxidanyl)propoxy]benzoic acid

Systemtic Name: 3-(1-adamantyl)-4-[2,3-bis(oxidanyl)propoxy]benzoic acid Openeye Name: 3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)benzoic acid CAS Name: 3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)benzoic acid IUPAC Name: 3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)benzoic acid Traditional Name: 3-(1-adamantyl)-4-glyceryloxy-benzoic acid Formula: C20H26O5 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C(=O)O)OCC(CO)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C(=O)O)OCC(CO)O

InChI

InChI=1S/C20H26O5/c21-10-16(22)11-25-18-2-1-15(19(23)24)6-17(18)20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,12-14,16,21-22H,3-5,7-11H2,(H,23,24)