4-methylbenzenesulfonate; (1-phenylbiphenylen-2-yl)sulfanium

Systemtic Name: 4-methylbenzenesulfonate; (1-phenylbiphenylen-2-yl)sulfanium Openeye Name: 4-methylbenzenesulfonate; (1-phenylbiphenylen-2-yl)sulfonium CAS Name: 4-methylbenzenesulfonate; (1-phenyl-2-biphenylenyl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; (1-phenylbiphenylen-2-yl)sulfanium Traditional Name: (1-phenylbiphenylen-2-yl)sulfonium tosylate Formula: C25H20O3S2 MolecularWeight: 432.5545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C2=C(C=CC3=C2C4=CC=CC=C34)[SH2+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C2=C(C=CC3=C2C4=CC=CC=C34)[SH2+]

InChI

InChI=1S/C18H12S.C7H8O3S/c19-16-11-10-15-13-8-4-5-9-14(13)18(15)17(16)12-6-2-1-3-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-11,19H;2-5H,1H3,(H,8,9,10)