bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 4-methylbenzenesulfonamide; 2-sulfanylpropanoate

Systemtic Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 4-methylbenzenesulfonamide; 2-sulfanylpropanoate Openeye Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 4-methylbenzenesulfonamide; 2-sulfanylpropanoate CAS Name: 7-bicyclo[4.1.0]hepta-1,3,5-trienone; 2-mercaptopropanoate; 4-methylbenzenesulfonamide IUPAC Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 4-methylbenzenesulfonamide; 2-sulfanylpropanoate Traditional Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 2-mercaptopropionate; 4-methylbenzenesulfonamide Formula: C17H18NO5S2- MolecularWeight: 380.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N.CC(C(=O)[O-])S.C1=CC=C2C(=C1)C2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N.CC(C(=O)[O-])S.C1=CC=C2C(=C1)C2=O

InChI

InChI=1S/C7H9NO2S.C7H4O.C3H6O2S/c1-6-2-4-7(5-3-6)11(8,9)10;8-7-5-3-1-2-4-6(5)7;1-2(6)3(4)5/h2-5H,1H3,(H2,8,9,10);1-4H;2,6H,1H3,(H,4,5)/p-1