calcium 4-ethylnaphthalene-1-sulfonate

Systemtic Name: calcium 4-ethylnaphthalene-1-sulfonate Openeye Name: calcium 4-ethylnaphthalene-1-sulfonate CAS Name: calcium 4-ethyl-1-naphthalenesulfonate IUPAC Name: calcium 4-ethylnaphthalene-1-sulfonate Traditional Name: calcium 4-ethylnaphthalene-1-sulfonate Formula: C24H22CaO6S2 MolecularWeight: 510.63588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C2=CC=CC=C12)S(=O)(=O)[O-].CCC1=CC=C(C2=CC=CC=C12)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCC1=CC=C(C2=CC=CC=C12)S(=O)(=O)[O-].CCC1=CC=C(C2=CC=CC=C12)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C12H12O3S.Ca/c2*1-2-9-7-8-12(16(13,14)15)11-6-4-3-5-10(9)11;/h2*3-8H,2H2,1H3,(H,13,14,15);/q;;+2/p-2