4-methylbenzenesulfonate; (9-sulfanylidenexanthen-2-yl)sulfanium

Systemtic Name: 4-methylbenzenesulfonate; (9-sulfanylidenexanthen-2-yl)sulfanium Openeye Name: 4-methylbenzenesulfonate; (9-thioxoxanthen-2-yl)sulfonium CAS Name: 4-methylbenzenesulfonate; (9-sulfanylidene-2-xanthenyl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; (9-sulfanylidenexanthen-2-yl)sulfanium Traditional Name: (9-thioxoxanthen-2-yl)sulfonium tosylate Formula: C20H16O4S3 MolecularWeight: 416.53364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=S)C3=C(O2)C=CC(=C3)[SH2+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=S)C3=C(O2)C=CC(=C3)[SH2+]

InChI

InChI=1S/C13H8OS2.C7H8O3S/c15-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)14-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,15H;2-5H,1H3,(H,8,9,10)