aluminum 2-propan-2-ylnaphthalene-1-sulfonate

Systemtic Name: aluminum 2-propan-2-ylnaphthalene-1-sulfonate Openeye Name: aluminum 2-isopropylnaphthalene-1-sulfonate CAS Name: aluminum 2-propan-2-yl-1-naphthalenesulfonate IUPAC Name: aluminum 2-propan-2-ylnaphthalene-1-sulfonate Traditional Name: aluminum 2-isopropylnaphthalene-1-sulfonate Formula: C39H39AlO9S3 MolecularWeight: 774.898098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].[Al+3]

Isomeric SMILES

CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].[Al+3]

InChI

InChI=1S/3C13H14O3S.Al/c3*1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)17(14,15)16;/h3*3-9H,1-2H3,(H,14,15,16);/q;;;+3/p-3