2,3-dimethyl-3-(6-oxidanylhexyl)-1,2-dihydroindole-5-sulfonic acid

Systemtic Name: 2,3-dimethyl-3-(6-oxidanylhexyl)-1,2-dihydroindole-5-sulfonic acid Openeye Name: 3-(6-hydroxyhexyl)-2,3-dimethyl-indoline-5-sulfonic acid CAS Name: 3-(6-hydroxyhexyl)-2,3-dimethyl-1,2-dihydroindole-5-sulfonic acid IUPAC Name: 3-(6-hydroxyhexyl)-2,3-dimethyl-1,2-dihydroindole-5-sulfonic acid Traditional Name: 3-(6-hydroxyhexyl)-2,3-dimethyl-indoline-5-sulfonic acid Formula: C16H25NO4S MolecularWeight: 327.439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1)C=CC(=C2)S(=O)(=O)O)(C)CCCCCCO

Isomeric SMILES

CC1C(C2=C(N1)C=CC(=C2)S(=O)(=O)O)(C)CCCCCCO

InChI

InChI=1S/C16H25NO4S/c1-12-16(2,9-5-3-4-6-10-18)14-11-13(22(19,20)21)7-8-15(14)17-12/h7-8,11-12,17-18H,3-6,9-10H2,1-2H3,(H,19,20,21)