aluminum; 2-(2-butoxyethoxy)ethanol; ethyl 3-oxidanylidenebutanoate; 4-methylbenzenesulfonic acid; propan-2-olate

Systemtic Name: aluminum; 2-(2-butoxyethoxy)ethanol; ethyl 3-oxidanylidenebutanoate; 4-methylbenzenesulfonic acid; propan-2-olate Openeye Name: aluminum; 2-(2-butoxyethoxy)ethanol; ethyl 3-oxobutanoate; 4-methylbenzenesulfonic acid; propan-2-olate CAS Name: aluminum; 2-(2-butoxyethoxy)ethanol; 4-methylbenzenesulfonic acid; 3-oxobutanoic acid ethyl ester; 2-propanolate IUPAC Name: aluminum; 2-(2-butoxyethoxy)ethanol; ethyl 3-oxobutanoate; 4-methylbenzenesulfonic acid; propan-2-olate Traditional Name: aluminum; 2-(2-butoxyethoxy)ethanol; 3-ketobutyric acid ethyl ester; propan-2-olate; tosylic acid Formula: C30H57AlO12S MolecularWeight: 668.812918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOCCO.CCOC(=O)CC(=O)C.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3]

Isomeric SMILES

CCCCOCCOCCO.CCOC(=O)CC(=O)C.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3]

InChI

InChI=1S/C8H18O3.C7H8O3S.C6H10O3.3C3H7O.Al/c1-2-3-5-10-7-8-11-6-4-9;1-6-2-4-7(5-3-6)11(8,9)10;1-3-9-6(8)4-5(2)7;3*1-3(2)4;/h9H,2-8H2,1H3;2-5H,1H3,(H,8,9,10);3-4H2,1-2H3;3*3H,1-2H3;/q;;;3*-1;+3