bis[2-(3-phenylsulfanylphenyl)propanoyloxy]alumanylium hydroxide

Systemtic Name: bis[2-(3-phenylsulfanylphenyl)propanoyloxy]alumanylium hydroxide Openeye Name: bis[2-(3-phenylsulfanylphenyl)propanoyloxy]alumanylium hydroxide CAS Name: bis[1-oxo-2-[3-(phenylthio)phenyl]propoxy]alumanylium hydroxide IUPAC Name: bis[2-(3-phenylsulfanylphenyl)propanoyloxy]alumanylium hydroxide Traditional Name: bis[2-[3-(phenylthio)phenyl]propanoyloxy]alumanylium hydroxide Formula: C30H27AlO5S2 MolecularWeight: 558.643918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)SC2=CC=CC=C2)C(=O)O[Al+]OC(=O)C(C)C3=CC(=CC=C3)SC4=CC=CC=C4.[OH-]

Isomeric SMILES

CC(C1=CC(=CC=C1)SC2=CC=CC=C2)C(=O)O[Al+]OC(=O)C(C)C3=CC(=CC=C3)SC4=CC=CC=C4.[OH-]

InChI

InChI=1S/2C15H14O2S.Al.H2O/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;;/h2*2-11H,1H3,(H,16,17);;1H2/q;;+3;/p-3