dimethyl-(phenylmethyl)sulfanium; (E)-2-phenylethenesulfonate

Systemtic Name: dimethyl-(phenylmethyl)sulfanium; (E)-2-phenylethenesulfonate Openeye Name: benzyl(dimethyl)sulfonium; (E)-2-phenylethenesulfonate CAS Name: dimethyl-(phenylmethyl)sulfonium; (E)-2-phenylethenesulfonate IUPAC Name: benzyl(dimethyl)sulfanium; (E)-2-phenylethenesulfonate Traditional Name: benzyl(dimethyl)sulfonium; (E)-2-phenylethenesulfonate Formula: C17H20O3S2 MolecularWeight: 336.4689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13S.C8H8O3S/c1-10(2)8-9-6-4-3-5-7-9;9-12(10,11)7-6-8-4-2-1-3-5-8/h3-7H,8H2,1-2H3;1-7H,(H,9,10,11)/q+1;/p-1/b;7-6+