2-methyl-1-octyl-indole-5-sulfonic acid

Systemtic Name: 2-methyl-1-octyl-indole-5-sulfonic acid Openeye Name: 2-methyl-1-octyl-indole-5-sulfonic acid CAS Name: 2-methyl-1-octyl-5-indolesulfonic acid IUPAC Name: 2-methyl-1-octylindole-5-sulfonic acid Traditional Name: 2-methyl-1-octyl-indole-5-sulfonic acid Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=CC2=C1C=CC(=C2)S(=O)(=O)O)C

Isomeric SMILES

CCCCCCCCN1C(=CC2=C1C=CC(=C2)S(=O)(=O)O)C

InChI

InChI=1S/C17H25NO3S/c1-3-4-5-6-7-8-11-18-14(2)12-15-13-16(22(19,20)21)9-10-17(15)18/h9-10,12-13H,3-8,11H2,1-2H3,(H,19,20,21)