calcium 2-propan-2-ylnaphthalene-1-sulfonate

Systemtic Name: calcium 2-propan-2-ylnaphthalene-1-sulfonate Openeye Name: calcium 2-isopropylnaphthalene-1-sulfonate CAS Name: calcium 2-propan-2-yl-1-naphthalenesulfonate IUPAC Name: calcium 2-propan-2-ylnaphthalene-1-sulfonate Traditional Name: calcium 2-isopropylnaphthalene-1-sulfonate Formula: C26H26CaO6S2 MolecularWeight: 538.68904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C13H14O3S.Ca/c2*1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)17(14,15)16;/h2*3-9H,1-2H3,(H,14,15,16);/q;;+2/p-2