(3Z)-3-hydroxyiminoinden-1-one; 4-methylbenzenesulfonic acid

Systemtic Name: (3Z)-3-hydroxyiminoinden-1-one; 4-methylbenzenesulfonic acid Openeye Name: (3Z)-3-hydroxyiminoindan-1-one; 4-methylbenzenesulfonic acid CAS Name: (3Z)-3-hydroxyimino-1-indenone; 4-methylbenzenesulfonic acid IUPAC Name: (3Z)-3-hydroxyiminoinden-1-one; 4-methylbenzenesulfonic acid Traditional Name: (3Z)-3-hydroximinoindan-1-one; tosylic acid Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(=NO)C2=CC=CC=C2C1=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1/C(=N/O)/C2=CC=CC=C2C1=O

InChI

InChI=1S/C9H7NO2.C7H8O3S/c11-9-5-8(10-12)6-3-1-2-4-7(6)9;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,12H,5H2;2-5H,1H3,(H,8,9,10)/b10-8-;