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calcium 2,3-di(nonyl)naphthalene-1-sulfonate

calcium 2,3-di(nonyl)naphthalene-1-sulfonate

Systemtic Name:calcium 2,3-di(nonyl)naphthalene-1-sulfonate
Openeye Name:calcium 2,3-di(nonyl)naphthalene-1-sulfonate
CAS Name:calcium 2,3-di(nonyl)-1-naphthalenesulfonate
IUPAC Name:calcium 2,3-di(nonyl)naphthalene-1-sulfonate
Traditional Name:calcium 2,3-di(nonyl)naphthalene-1-sulfonate
Formula: C28H43CaO3S+
MolecularWeight: 499.78222
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].[Ca+2]


Isomeric SMILES

CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].[Ca+2]


InChI

InChI=1S/C28H44O3S.Ca/c1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;+2/p-1


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