barium(2+); 1,2-di(nonyl)naphthalene; naphthalene-1-sulfonate

Systemtic Name: barium(2+); 1,2-di(nonyl)naphthalene; naphthalene-1-sulfonate Openeye Name: barium(2+); 1,2-di(nonyl)naphthalene; naphthalene-1-sulfonate CAS Name: barium(2+); 1,2-di(nonyl)naphthalene; 1-naphthalenesulfonate IUPAC Name: barium(2+); 1,2-di(nonyl)naphthalene; naphthalene-1-sulfonate Traditional Name: barium(2+); 1,2-di(nonyl)naphthalene; naphthalene-1-sulfonate Formula: C48H58BaO6S2 MolecularWeight: 932.42752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C2=CC=CC=C2C=C1)CCCCCCCCC.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

CCCCCCCCCC1=C(C2=CC=CC=C2C=C1)CCCCCCCCC.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].[Ba+2]

InChI

InChI=1S/C28H44.2C10H8O3S.Ba/c1-3-5-7-9-11-13-15-19-25-23-24-26-20-17-18-22-28(26)27(25)21-16-14-12-10-8-6-4-2;2*11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h17-18,20,22-24H,3-16,19,21H2,1-2H3;2*1-7H,(H,11,12,13);/q;;;+2/p-2