1-methylpyrido[3,4-b]indole-9-sulfonic acid

Systemtic Name: 1-methylpyrido[3,4-b]indole-9-sulfonic acid Openeye Name: 1-methylpyrido[3,4-b]indole-9-sulfonic acid CAS Name: 1-methyl-9-pyrido[3,4-b]indolesulfonic acid IUPAC Name: 1-methylpyrido[3,4-b]indole-9-sulfonic acid Traditional Name: 1-methyl-$b-carboline-9-sulfonic acid Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1N(C3=CC=CC=C23)S(=O)(=O)O

Isomeric SMILES

CC1=NC=CC2=C1N(C3=CC=CC=C23)S(=O)(=O)O

InChI

InChI=1S/C12H10N2O3S/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14(12)18(15,16)17/h2-7H,1H3,(H,15,16,17)