3-(6-methanoyl-2,2,4-trimethyl-7-oxidanyl-quinolin-1-yl)propane-1-sulfonate

Systemtic Name: 3-(6-methanoyl-2,2,4-trimethyl-7-oxidanyl-quinolin-1-yl)propane-1-sulfonate Openeye Name: 3-(6-formyl-7-hydroxy-2,2,4-trimethyl-1-quinolyl)propane-1-sulfonate CAS Name: 3-(6-formyl-7-hydroxy-2,2,4-trimethyl-1-quinolinyl)-1-propanesulfonate IUPAC Name: 3-(6-formyl-7-hydroxy-2,2,4-trimethylquinolin-1-yl)propane-1-sulfonate Traditional Name: 3-(6-formyl-7-hydroxy-2,2,4-trimethyl-1-quinolyl)propane-1-sulfonate Formula: C16H20NO5S- MolecularWeight: 338.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=CC(=C(C=C12)C=O)O)CCCS(=O)(=O)[O-])(C)C

Isomeric SMILES

CC1=CC(N(C2=CC(=C(C=C12)C=O)O)CCCS(=O)(=O)[O-])(C)C

InChI

InChI=1S/C16H21NO5S/c1-11-9-16(2,3)17(5-4-6-23(20,21)22)14-8-15(19)12(10-18)7-13(11)14/h7-10,19H,4-6H2,1-3H3,(H,20,21,22)/p-1