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

Systemtic Name: aluminum 2,3-di(nonyl)naphthalene-1-sulfonate Openeye Name: aluminum 2,3-di(nonyl)naphthalene-1-sulfonate CAS Name: aluminum 2,3-di(nonyl)-1-naphthalenesulfonate IUPAC Name: aluminum 2,3-di(nonyl)naphthalene-1-sulfonate Traditional Name: aluminum 2,3-di(nonyl)naphthalene-1-sulfonate Formula: C84H129AlO9S3 MolecularWeight: 1406.094198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].[Al+3]

Isomeric SMILES

CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].[Al+3]

InChI

InChI=1S/3C28H44O3S.Al/c3*1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h3*17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;;;+3/p-3