1-(3,3-dimethylindol-2-yl)propane-1-sulfonic acid

Systemtic Name: 1-(3,3-dimethylindol-2-yl)propane-1-sulfonic acid Openeye Name: 1-(3,3-dimethylindol-2-yl)propane-1-sulfonic acid CAS Name: 1-(3,3-dimethyl-2-indolyl)-1-propanesulfonic acid IUPAC Name: 1-(3,3-dimethylindol-2-yl)propane-1-sulfonic acid Traditional Name: 1-(3,3-dimethylindol-2-yl)propane-1-sulfonic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C1(C)C)S(=O)(=O)O

Isomeric SMILES

CCC(C1=NC2=CC=CC=C2C1(C)C)S(=O)(=O)O

InChI

InChI=1S/C13H17NO3S/c1-4-11(18(15,16)17)12-13(2,3)9-7-5-6-8-10(9)14-12/h5-8,11H,4H2,1-3H3,(H,15,16,17)