bis[2-(4-methyl-3-phenylsulfanyl-phenyl)propanoyloxy]alumanylium hydroxide

Systemtic Name: bis[2-(4-methyl-3-phenylsulfanyl-phenyl)propanoyloxy]alumanylium hydroxide Openeye Name: bis[2-(4-methyl-3-phenylsulfanyl-phenyl)propanoyloxy]alumanylium hydroxide CAS Name: bis[2-[4-methyl-3-(phenylthio)phenyl]-1-oxopropoxy]alumanylium hydroxide IUPAC Name: bis[2-(4-methyl-3-phenylsulfanylphenyl)propanoyloxy]alumanylium hydroxide Traditional Name: bis[2-[4-methyl-3-(phenylthio)phenyl]propanoyloxy]alumanylium hydroxide Formula: C32H31AlO5S2 MolecularWeight: 586.697078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C(=O)O[Al+]OC(=O)C(C)C2=CC(=C(C=C2)C)SC3=CC=CC=C3)SC4=CC=CC=C4.[OH-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C(=O)O[Al+]OC(=O)C(C)C2=CC(=C(C=C2)C)SC3=CC=CC=C3)SC4=CC=CC=C4.[OH-]

InChI

InChI=1S/2C16H16O2S.Al.H2O/c2*1-11-8-9-13(12(2)16(17)18)10-15(11)19-14-6-4-3-5-7-14;;/h2*3-10,12H,1-2H3,(H,17,18);;1H2/q;;+3;/p-3