dialuminum; 1,2-bis(ethenyl)benzene; (E)-2-phenylethenesulfonate; triphenoxide

Systemtic Name: dialuminum; 1,2-bis(ethenyl)benzene; (E)-2-phenylethenesulfonate; triphenoxide Openeye Name: dialuminum; 1,2-divinylbenzene; (E)-2-phenylethenesulfonate; triphenoxide CAS Name: dialuminum; 1,2-bis(ethenyl)benzene; (E)-2-phenylethenesulfonate; triphenoxide IUPAC Name: dialuminum; 1,2-bis(ethenyl)benzene; (E)-2-phenylethenesulfonate; triphenoxide Traditional Name: dialuminum; 1,2-divinylbenzene; (E)-2-phenylethenesulfonate; triphenoxide Formula: C72H66Al2O12S3 MolecularWeight: 1273.445316

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=CC=C1C=C.C=CC1=CC=CC=C1C=C.C=CC1=CC=CC=C1C=C.C1=CC=C(C=C1)C=CS(=O)(=O)[O-].C1=CC=C(C=C1)C=CS(=O)(=O)[O-].C1=CC=C(C=C1)C=CS(=O)(=O)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Al+3].[Al+3]

Isomeric SMILES

C=CC1=CC=CC=C1C=C.C=CC1=CC=CC=C1C=C.C=CC1=CC=CC=C1C=C.C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-].C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-].C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Al+3].[Al+3]

InChI

InChI=1S/3C10H10.3C8H8O3S.3C6H6O.2Al/c3*1-3-9-7-5-6-8-10(9)4-2;3*9-12(10,11)7-6-8-4-2-1-3-5-8;3*7-6-4-2-1-3-5-6;;/h3*3-8H,1-2H2;3*1-7H,(H,9,10,11);3*1-5,7H;;/q;;;;;;;;;2*+3/p-6/b;;;3*7-6+;;;;;