5-(1-adamantyl)-2,4-bis(oxidanyl)benzoate

Systemtic Name: 5-(1-adamantyl)-2,4-bis(oxidanyl)benzoate Openeye Name: 5-(1-adamantyl)-2,4-dihydroxy-benzoate CAS Name: 5-(1-adamantyl)-2,4-dihydroxybenzoate IUPAC Name: 5-(1-adamantyl)-2,4-dihydroxybenzoate Traditional Name: 5-(1-adamantyl)-2,4-dihydroxy-benzoate Formula: C17H19O4- MolecularWeight: 287.33036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O4/c18-14-5-15(19)13(4-12(14)16(20)21)17-6-9-1-10(7-17)3-11(2-9)8-17/h4-5,9-11,18-19H,1-3,6-8H2,(H,20,21)/p-1