disodium 4-tert-butyl-1-oxidanyl-naphthalene-2,7-dicarboxylate

Systemtic Name: disodium 4-tert-butyl-1-oxidanyl-naphthalene-2,7-dicarboxylate Openeye Name: disodium 4-tert-butyl-1-hydroxy-naphthalene-2,7-dicarboxylate CAS Name: disodium 4-tert-butyl-1-hydroxynaphthalene-2,7-dicarboxylate IUPAC Name: disodium 4-tert-butyl-1-hydroxynaphthalene-2,7-dicarboxylate Traditional Name: disodium 4-tert-butyl-1-hydroxy-naphthalene-2,7-dicarboxylate Formula: C16H14Na2O5 MolecularWeight: 332.2589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C=CC(=CC2=C(C(=C1)C(=O)[O-])O)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)(C)C1=C2C=CC(=CC2=C(C(=C1)C(=O)[O-])O)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H16O5.2Na/c1-16(2,3)12-7-11(15(20)21)13(17)10-6-8(14(18)19)4-5-9(10)12;;/h4-7,17H,1-3H3,(H,18,19)(H,20,21);;/q;2*+1/p-2