3-(2,3,7-trimethylquinoxalin-6-yl)oxypropane-1-sulfonic acid

Systemtic Name: 3-(2,3,7-trimethylquinoxalin-6-yl)oxypropane-1-sulfonic acid Openeye Name: 3-(2,3,7-trimethylquinoxalin-6-yl)oxypropane-1-sulfonic acid CAS Name: 3-[(2,3,7-trimethyl-6-quinoxalinyl)oxy]-1-propanesulfonic acid IUPAC Name: 3-(2,3,7-trimethylquinoxalin-6-yl)oxypropane-1-sulfonic acid Traditional Name: 3-(2,3,7-trimethylquinoxalin-6-yl)oxypropane-1-sulfonic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1OCCCS(=O)(=O)O)N=C(C(=N2)C)C

Isomeric SMILES

CC1=CC2=C(C=C1OCCCS(=O)(=O)O)N=C(C(=N2)C)C

InChI

InChI=1S/C14H18N2O4S/c1-9-7-12-13(16-11(3)10(2)15-12)8-14(9)20-5-4-6-21(17,18)19/h7-8H,4-6H2,1-3H3,(H,17,18,19)