2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-sulfonic acid

Systemtic Name: 2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-sulfonic acid Openeye Name: 2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-sulfonic acid CAS Name: 2,3,3-trimethyl-1-(2-sulfoethyl)-5-indol-1-iumsulfonic acid IUPAC Name: 2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-sulfonic acid Traditional Name: 2,3,3-trimethyl-1-(2-sulfoethyl)indol-1-ium-5-sulfonic acid Formula: C13H18NO6S2+ MolecularWeight: 348.41512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)CCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)CCS(=O)(=O)O

InChI

InChI=1S/C13H17NO6S2/c1-9-13(2,3)11-8-10(22(18,19)20)4-5-12(11)14(9)6-7-21(15,16)17/h4-5,8H,6-7H2,1-3H3,(H-,15,16,17,18,19,20)/p+1