9-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-1-oxidanylidene-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid

Systemtic Name: 9-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-1-oxidanylidene-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Openeye Name: 9-(2-methoxy-2-oxo-ethyl)-2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid CAS Name: 9-(2-methoxy-2-oxoethyl)-2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid IUPAC Name: 9-(2-methoxy-2-oxoethyl)-2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Traditional Name: 1-keto-9-(2-keto-2-methoxy-ethyl)-2-methyl-3,4-dihydro-$b-carboline-6-sulfonic acid Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O6S/c1-16-6-5-10-11-7-9(24(20,21)22)3-4-12(11)17(8-13(18)23-2)14(10)15(16)19/h3-4,7H,5-6,8H2,1-2H3,(H,20,21,22)