dimethylsulfanium; 4-methylbenzenesulfonate

Systemtic Name: dimethylsulfanium; 4-methylbenzenesulfonate Openeye Name: dimethylsulfonium; 4-methylbenzenesulfonate CAS Name: dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: dimethylsulfonium octatosylate Formula: C72H112O24S16 MolecularWeight: 1874.68528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[SH+]C.C[SH+]C.C[SH+]C.C[SH+]C.C[SH+]C.C[SH+]C.C[SH+]C.C[SH+]C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[SH+]C.C[SH+]C.C[SH+]C.C[SH+]C.C[SH+]C.C[SH+]C.C[SH+]C.C[SH+]C

InChI

InChI=1S/8C7H8O3S.8C2H6S/c8*1-6-2-4-7(5-3-6)11(8,9)10;8*1-3-2/h8*2-5H,1H3,(H,8,9,10);8*1-2H3