bis[2-(3-phenylsulfanyl-5-propoxy-phenyl)butanoyloxy]alumanylium

Systemtic Name: bis[2-(3-phenylsulfanyl-5-propoxy-phenyl)butanoyloxy]alumanylium Openeye Name: bis[2-(3-phenylsulfanyl-5-propoxy-phenyl)butanoyloxy]alumanylium CAS Name: bis[1-oxo-2-[3-(phenylthio)-5-propoxyphenyl]butoxy]alumanylium IUPAC Name: bis[2-(3-phenylsulfanyl-5-propoxyphenyl)butanoyloxy]alumanylium Traditional Name: bis[2-[3-(phenylthio)-5-propoxy-phenyl]butanoyloxy]alumanylium Formula: C38H42AlO6S2+ MolecularWeight: 685.848018

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC(=C1)C(CC)C(=O)O[Al+]OC(=O)C(CC)C2=CC(=CC(=C2)SC3=CC=CC=C3)OCCC)SC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC(=CC(=C1)C(CC)C(=O)O[Al+]OC(=O)C(CC)C2=CC(=CC(=C2)SC3=CC=CC=C3)OCCC)SC4=CC=CC=C4

InChI

InChI=1S/2C19H22O3S.Al/c2*1-3-10-22-15-11-14(18(4-2)19(20)21)12-17(13-15)23-16-8-6-5-7-9-16;/h2*5-9,11-13,18H,3-4,10H2,1-2H3,(H,20,21);/q;;+3/p-2