disodium 4-[1-(4-oxidanidylphenyl)cyclopentyl]phenolate

Systemtic Name: disodium 4-[1-(4-oxidanidylphenyl)cyclopentyl]phenolate Openeye Name: disodium 4-[1-(4-oxidophenyl)cyclopentyl]phenolate CAS Name: disodium 4-[1-(4-oxidophenyl)cyclopentyl]phenolate IUPAC Name: disodium 4-[1-(4-oxidophenyl)cyclopentyl]phenolate Traditional Name: disodium 4-[1-(4-oxidophenyl)cyclopentyl]phenolate Formula: C17H16Na2O2 MolecularWeight: 298.28728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=C(C=C2)[O-])C3=CC=C(C=C3)[O-].[Na+].[Na+]

Isomeric SMILES

C1CCC(C1)(C2=CC=C(C=C2)[O-])C3=CC=C(C=C3)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H18O2.2Na/c18-15-7-3-13(4-8-15)17(11-1-2-12-17)14-5-9-16(19)10-6-14;;/h3-10,18-19H,1-2,11-12H2;;/q;2*+1/p-2