[4,7-bis(oxidanyl)naphthalen-1-yl]-dimethyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: [4,7-bis(oxidanyl)naphthalen-1-yl]-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: (4,7-dihydroxy-1-naphthyl)-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: (4,7-dihydroxy-1-naphthalenyl)-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: (4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: (4,7-dihydroxy-1-naphthyl)-dimethyl-sulfonium tosylate Formula: C19H20O5S2 MolecularWeight: 392.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)C1=C2C=C(C=CC2=C(C=C1)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)C1=C2C=C(C=CC2=C(C=C1)O)O

InChI

InChI=1S/C12H12O2S.C7H8O3S/c1-15(2)12-6-5-11(14)9-4-3-8(13)7-10(9)12;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,1-2H3,(H-,13,14);2-5H,1H3,(H,8,9,10)