dialuminum 2-[(1-sulfonatonaphthalen-2-yl)methyl]naphthalene-1-sulfonate

Systemtic Name: dialuminum 2-[(1-sulfonatonaphthalen-2-yl)methyl]naphthalene-1-sulfonate Openeye Name: dialuminum 2-[(1-sulfonato-2-naphthyl)methyl]naphthalene-1-sulfonate CAS Name: dialuminum 2-[(1-sulfonato-2-naphthalenyl)methyl]-1-naphthalenesulfonate IUPAC Name: dialuminum 2-[(1-sulfonatonaphthalen-2-yl)methyl]naphthalene-1-sulfonate Traditional Name: dialuminum 2-[(1-sulfonato-2-naphthyl)methyl]naphthalene-1-sulfonate Formula: C63H42Al2O18S6 MolecularWeight: 1333.349856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])CC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])CC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])CC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-].[Al+3].[Al+3]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])CC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])CC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])CC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-].[Al+3].[Al+3]

InChI

InChI=1S/3C21H16O6S2.2Al/c3*22-28(23,24)20-16(11-9-14-5-1-3-7-18(14)20)13-17-12-10-15-6-2-4-8-19(15)21(17)29(25,26)27;;/h3*1-12H,13H2,(H,22,23,24)(H,25,26,27);;/q;;;2*+3/p-6