4-methylbenzenesulfonate; triphenylsulfanium

Systemtic Name: 4-methylbenzenesulfonate; triphenylsulfanium Openeye Name: 4-methylbenzenesulfonate; triphenylsulfonium CAS Name: 4-methylbenzenesulfonate; triphenylsulfonium IUPAC Name: 4-methylbenzenesulfonate; triphenylsulfanium Traditional Name: triphenylsulfonium tosylate Formula: C43H37O3S3+ MolecularWeight: 697.94708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/2C18H15S.C7H8O3S/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-2-4-7(5-3-6)11(8,9)10/h2*1-15H;2-5H,1H3,(H,8,9,10)/q2*+1;/p-1