4-methylbenzenesulfonic acid; 2-oxidanylbenzo[e]isoindole-1,3-dione

Systemtic Name: 4-methylbenzenesulfonic acid; 2-oxidanylbenzo[e]isoindole-1,3-dione Openeye Name: 2-hydroxybenzo[e]isoindole-1,3-dione; 4-methylbenzenesulfonic acid CAS Name: 2-hydroxybenzo[e]isoindole-1,3-dione; 4-methylbenzenesulfonic acid IUPAC Name: 2-hydroxybenzo[e]isoindole-1,3-dione; 4-methylbenzenesulfonic acid Traditional Name: 2-hydroxybenz[e]isoindole-1,3-quinone; tosylic acid Formula: C19H15NO6S MolecularWeight: 385.3905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=CC3=C2C(=O)N(C3=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=CC3=C2C(=O)N(C3=O)O

InChI

InChI=1S/C12H7NO3.C7H8O3S/c14-11-9-6-5-7-3-1-2-4-8(7)10(9)12(15)13(11)16;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,16H;2-5H,1H3,(H,8,9,10)