azepan-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: azepan-2-one; 4-methylbenzenesulfonic acid Openeye Name: azepan-2-one; 4-methylbenzenesulfonic acid CAS Name: 2-azepanone; 4-methylbenzenesulfonic acid IUPAC Name: azepan-2-one; 4-methylbenzenesulfonic acid Traditional Name: azepan-2-one; tosylic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(=O)NCC1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(=O)NCC1

InChI

InChI=1S/C7H8O3S.C6H11NO/c1-6-2-4-7(5-3-6)11(8,9)10;8-6-4-2-1-3-5-7-6/h2-5H,1H3,(H,8,9,10);1-5H2,(H,7,8)