2,9-dimethyl-1-oxidanylidene-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid

Systemtic Name: 2,9-dimethyl-1-oxidanylidene-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Openeye Name: 2,9-dimethyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid CAS Name: 2,9-dimethyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid IUPAC Name: 2,9-dimethyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Traditional Name: 1-keto-2,9-dimethyl-3,4-dihydro-$b-carboline-6-sulfonic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)C

Isomeric SMILES

CN1CCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)C

InChI

InChI=1S/C13H14N2O4S/c1-14-6-5-9-10-7-8(20(17,18)19)3-4-11(10)15(2)12(9)13(14)16/h3-4,7H,5-6H2,1-2H3,(H,17,18,19)