1,1,2-trimethyl-3-(2-sulfoethyl)benzo[e]indol-3-ium-7-sulfonic acid

Systemtic Name: 1,1,2-trimethyl-3-(2-sulfoethyl)benzo[e]indol-3-ium-7-sulfonic acid Openeye Name: 1,1,2-trimethyl-3-(2-sulfoethyl)benzo[e]indol-3-ium-7-sulfonic acid CAS Name: 1,1,2-trimethyl-3-(2-sulfoethyl)-7-benzo[e]indol-3-iumsulfonic acid IUPAC Name: 1,1,2-trimethyl-3-(2-sulfoethyl)benzo[e]indol-3-ium-7-sulfonic acid Traditional Name: 1,1,2-trimethyl-3-(2-sulfoethyl)benz[e]indol-3-ium-7-sulfonic acid Formula: C17H20NO6S2+ MolecularWeight: 398.4738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C3=C(C=C2)C=C(C=C3)S(=O)(=O)O)CCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C3=C(C=C2)C=C(C=C3)S(=O)(=O)O)CCS(=O)(=O)O

InChI

InChI=1S/C17H19NO6S2/c1-11-17(2,3)16-14-6-5-13(26(22,23)24)10-12(14)4-7-15(16)18(11)8-9-25(19,20)21/h4-7,10H,8-9H2,1-3H3,(H-,19,20,21,22,23,24)/p+1