calcium naphthalene-1-sulfonate

Systemtic Name: calcium naphthalene-1-sulfonate Openeye Name: calcium naphthalene-1-sulfonate CAS Name: calcium 1-naphthalenesulfonate IUPAC Name: calcium naphthalene-1-sulfonate Traditional Name: calcium naphthalene-1-sulfonate Formula: C20H14CaO6S2 MolecularWeight: 454.52956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C10H8O3S.Ca/c2*11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h2*1-7H,(H,11,12,13);/q;;+2/p-2