1-methyl-7-oxidanylidene-3,4-dihydro-2H-pyrido[3,4-b]indole-9-sulfonic acid

Systemtic Name: 1-methyl-7-oxidanylidene-3,4-dihydro-2H-pyrido[3,4-b]indole-9-sulfonic acid Openeye Name: 1-methyl-7-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-9-sulfonic acid CAS Name: 1-methyl-7-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-9-sulfonic acid IUPAC Name: 1-methyl-7-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-9-sulfonic acid Traditional Name: 7-keto-1-methyl-3,4-dihydro-2H-$b-carboline-9-sulfonic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3C=CC(=O)C=C3N2S(=O)(=O)O)CCN1

Isomeric SMILES

CC1=C2C(=C3C=CC(=O)C=C3N2S(=O)(=O)O)CCN1

InChI

InChI=1S/C12H12N2O4S/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14(12)19(16,17)18/h2-3,6,13H,4-5H2,1H3,(H,16,17,18)