4-methylbenzenesulfonic acid; 3-phenylfuran-2,5-dione

Systemtic Name: 4-methylbenzenesulfonic acid; 3-phenylfuran-2,5-dione Openeye Name: 4-methylbenzenesulfonic acid; 3-phenylfuran-2,5-dione CAS Name: 4-methylbenzenesulfonic acid; 3-phenylfuran-2,5-dione IUPAC Name: 4-methylbenzenesulfonic acid; 3-phenylfuran-2,5-dione Traditional Name: 3-phenylfuran-2,5-quinone; tosylic acid Formula: C17H14O6S MolecularWeight: 346.35446

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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=CC(=O)OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C2=CC(=O)OC2=O

InChI

InChI=1S/C10H6O3.C7H8O3S/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-6H;2-5H,1H3,(H,8,9,10)