calcium 2,3-di(propan-2-yl)naphthalene-1-sulfonate

Systemtic Name: calcium 2,3-di(propan-2-yl)naphthalene-1-sulfonate Openeye Name: calcium 2,3-diisopropylnaphthalene-1-sulfonate CAS Name: calcium 2,3-di(propan-2-yl)-1-naphthalenesulfonate IUPAC Name: calcium 2,3-di(propan-2-yl)naphthalene-1-sulfonate Traditional Name: calcium 2,3-diisopropylnaphthalene-1-sulfonate Formula: C32H38CaO6S2 MolecularWeight: 622.84852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=CC=CC=C2C(=C1C(C)C)S(=O)(=O)[O-].CC(C)C1=CC2=CC=CC=C2C(=C1C(C)C)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC(C)C1=CC2=CC=CC=C2C(=C1C(C)C)S(=O)(=O)[O-].CC(C)C1=CC2=CC=CC=C2C(=C1C(C)C)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C16H20O3S.Ca/c2*1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;/h2*5-11H,1-4H3,(H,17,18,19);/q;;+2/p-2