2-methyl-1-(2-oxidanyl-3-phenoxy-propyl)indole-3-sulfonic acid

Systemtic Name: 2-methyl-1-(2-oxidanyl-3-phenoxy-propyl)indole-3-sulfonic acid Openeye Name: 1-(2-hydroxy-3-phenoxy-propyl)-2-methyl-indole-3-sulfonic acid CAS Name: 1-(2-hydroxy-3-phenoxypropyl)-2-methyl-3-indolesulfonic acid IUPAC Name: 1-(2-hydroxy-3-phenoxypropyl)-2-methylindole-3-sulfonic acid Traditional Name: 1-(2-hydroxy-3-phenoxy-propyl)-2-methyl-indole-3-sulfonic acid Formula: C18H19NO5S MolecularWeight: 361.41216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC(COC3=CC=CC=C3)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC(COC3=CC=CC=C3)O)S(=O)(=O)O

InChI

InChI=1S/C18H19NO5S/c1-13-18(25(21,22)23)16-9-5-6-10-17(16)19(13)11-14(20)12-24-15-7-3-2-4-8-15/h2-10,14,20H,11-12H2,1H3,(H,21,22,23)