aluminum; 2-dodecylbenzenesulfonic acid; (E)-2-ethanoylicos-11-enoate

Systemtic Name: aluminum; 2-dodecylbenzenesulfonic acid; (E)-2-ethanoylicos-11-enoate Openeye Name: aluminum; (E)-2-acetylicos-11-enoate; 2-dodecylbenzenesulfonic acid CAS Name: aluminum; (E)-2-acetyl-11-eicosenoate; 2-dodecylbenzenesulfonic acid IUPAC Name: aluminum; (E)-2-acetylicos-11-enoate; 2-dodecylbenzenesulfonic acid Traditional Name: aluminum; (E)-2-acetyleicos-11-enoate; 2-laurylbesylic acid Formula: C84H147AlO12S MolecularWeight: 1408.105318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCC=CCCCCCCCCC(C(=O)C)C(=O)[O-].CCCCCCCCC=CCCCCCCCCC(C(=O)C)C(=O)[O-].CCCCCCCCC=CCCCCCCCCC(C(=O)C)C(=O)[O-].[Al+3]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCC/C=C/CCCCCCCCC(C(=O)[O-])C(=O)C.CCCCCCCC/C=C/CCCCCCCCC(C(=O)[O-])C(=O)C.CCCCCCCC/C=C/CCCCCCCCC(C(=O)[O-])C(=O)C.[Al+3]

InChI

InChI=1S/3C22H40O3.C18H30O3S.Al/c3*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20(2)23)22(24)25;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h3*10-11,21H,3-9,12-19H2,1-2H3,(H,24,25);12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;;;+3/p-3/b3*11-10+;;