3-(4,4-dimethyl-7-oxidanyl-thieno[3,2-c]quinolin-5-yl)propane-1-sulfonic acid

Systemtic Name: 3-(4,4-dimethyl-7-oxidanyl-thieno[3,2-c]quinolin-5-yl)propane-1-sulfonic acid Openeye Name: 3-(7-hydroxy-4,4-dimethyl-thieno[3,2-c]quinolin-5-yl)propane-1-sulfonic acid CAS Name: 3-(7-hydroxy-4,4-dimethyl-5-thieno[3,2-c]quinolinyl)-1-propanesulfonic acid IUPAC Name: 3-(7-hydroxy-4,4-dimethylthieno[3,2-c]quinolin-5-yl)propane-1-sulfonic acid Traditional Name: 3-(7-hydroxy-4,4-dimethyl-thieno[3,2-c]quinolin-5-yl)propane-1-sulfonic acid Formula: C16H19NO4S2 MolecularWeight: 353.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C3=C(N1CCCS(=O)(=O)O)C=C(C=C3)O)SC=C2)C

Isomeric SMILES

CC1(C2=C(C3=C(N1CCCS(=O)(=O)O)C=C(C=C3)O)SC=C2)C

InChI

InChI=1S/C16H19NO4S2/c1-16(2)13-6-8-22-15(13)12-5-4-11(18)10-14(12)17(16)7-3-9-23(19,20)21/h4-6,8,10,18H,3,7,9H2,1-2H3,(H,19,20,21)