calcium 2,3-dibutylnaphthalene-1-sulfonate

Systemtic Name: calcium 2,3-dibutylnaphthalene-1-sulfonate Openeye Name: calcium 2,3-dibutylnaphthalene-1-sulfonate CAS Name: calcium 2,3-dibutyl-1-naphthalenesulfonate IUPAC Name: calcium 2,3-dibutylnaphthalene-1-sulfonate Traditional Name: calcium 2,3-dibutylnaphthalene-1-sulfonate Formula: C36H46CaO6S2 MolecularWeight: 678.95484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=C1CCCC)S(=O)(=O)[O-].CCCCC1=CC2=CC=CC=C2C(=C1CCCC)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=C1CCCC)S(=O)(=O)[O-].CCCCC1=CC2=CC=CC=C2C(=C1CCCC)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C18H24O3S.Ca/c2*1-3-5-9-14-13-15-10-7-8-12-17(15)18(22(19,20)21)16(14)11-6-4-2;/h2*7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21);/q;;+2/p-2