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

Systemtic Name: bis[2-(3-phenylsulfanylphenyl)pentanoyloxy]alumanylium hydroxide Openeye Name: bis[2-(3-phenylsulfanylphenyl)pentanoyloxy]alumanylium hydroxide CAS Name: bis[1-oxo-2-[3-(phenylthio)phenyl]pentoxy]alumanylium hydroxide IUPAC Name: bis[2-(3-phenylsulfanylphenyl)pentanoyloxy]alumanylium hydroxide Traditional Name: bis[2-[3-(phenylthio)phenyl]pentanoyloxy]alumanylium hydroxide Formula: C34H35AlO5S2 MolecularWeight: 614.750238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H18O2S.Al.H2O/c2*1-2-7-16(17(18)19)13-8-6-11-15(12-13)20-14-9-4-3-5-10-14;;/h2*3-6,8-12,16H,2,7H2,1H3,(H,18,19);;1H2/q;;+3;/p-3