4-methylbenzenesulfonate; (2-oxidanylidenechromen-7-yl)-diphenyl-sulfanium

Systemtic Name: 4-methylbenzenesulfonate; (2-oxidanylidenechromen-7-yl)-diphenyl-sulfanium Openeye Name: 4-methylbenzenesulfonate; (2-oxochromen-7-yl)-diphenyl-sulfonium CAS Name: 4-methylbenzenesulfonate; (2-oxo-1-benzopyran-7-yl)-diphenylsulfonium IUPAC Name: 4-methylbenzenesulfonate; (2-oxochromen-7-yl)-diphenylsulfanium Traditional Name: (2-ketochromen-7-yl)-diphenyl-sulfonium tosylate Formula: C28H22O5S2 MolecularWeight: 502.60128

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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=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C21H15O2S.C7H8O3S/c22-21-14-12-16-11-13-19(15-20(16)23-21)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-6-2-4-7(5-3-6)11(8,9)10/h1-15H;2-5H,1H3,(H,8,9,10)/q+1;/p-1