4H-isoquinoline-1,3-dione; 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonic acid

Systemtic Name: 4H-isoquinoline-1,3-dione; 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonic acid Openeye Name: 4H-isoquinoline-1,3-dione; 4,7,7-trimethyl-3-oxo-norbornane-2-sulfonic acid CAS Name: 4H-isoquinoline-1,3-dione; 4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanesulfonic acid IUPAC Name: 4H-isoquinoline-1,3-dione; 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid Traditional Name: 4H-isoquinoline-1,3-quinone; 3-keto-4,7,7-trimethyl-norbornane-2-sulfonic acid Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2S(=O)(=O)O)C)C.C1C2=CC=CC=C2C(=O)NC1=O

Isomeric SMILES

CC1(C2CCC1(C(=O)C2S(=O)(=O)O)C)C.C1C2=CC=CC=C2C(=O)NC1=O

InChI

InChI=1S/C10H16O4S.C9H7NO2/c1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14;11-8-5-6-3-1-2-4-7(6)9(12)10-8/h6-7H,4-5H2,1-3H3,(H,12,13,14);1-4H,5H2,(H,10,11,12)