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acetyloxy-[3-(2,5-dimethylphenyl)thiophen-2-yl]alumanylium dihydroxide

acetyloxy-[3-(2,5-dimethylphenyl)thiophen-2-yl]alumanylium dihydroxide

Systemtic Name:acetyloxy-[3-(2,5-dimethylphenyl)thiophen-2-yl]alumanylium dihydroxide
Openeye Name:acetoxy-[3-(2,5-dimethylphenyl)-2-thienyl]alumanylium dihydroxide
CAS Name:acetyloxy-[3-(2,5-dimethylphenyl)-2-thiophenyl]alumanylium dihydroxide
IUPAC Name:acetyloxy-[3-(2,5-dimethylphenyl)thiophen-2-yl]alumanylium dihydroxide
Traditional Name:acetoxy-[3-(2,5-dimethylphenyl)-2-thienyl]alumanylium dihydroxide
Formula: C14H16AlO4S-
MolecularWeight: 307.320978
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(SC=C2)[Al+]OC(=O)C.[OH-].[OH-]


Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(SC=C2)[Al+]OC(=O)C.[OH-].[OH-]


InChI

InChI=1S/C12H11S.C2H4O2.Al.2H2O/c1-9-3-4-10(2)12(7-9)11-5-6-13-8-11;1-2(3)4;;;/h3-7H,1-2H3;1H3,(H,3,4);;2*1H2/q;;+2;;/p-3


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