3-ethyl-1,1,2-trimethyl-benzo[e]indol-3-ium-7-sulfonic acid

Systemtic Name: 3-ethyl-1,1,2-trimethyl-benzo[e]indol-3-ium-7-sulfonic acid Openeye Name: 3-ethyl-1,1,2-trimethyl-benzo[e]indol-3-ium-7-sulfonic acid CAS Name: 3-ethyl-1,1,2-trimethyl-7-benzo[e]indol-3-iumsulfonic acid IUPAC Name: 3-ethyl-1,1,2-trimethylbenzo[e]indol-3-ium-7-sulfonic acid Traditional Name: 3-ethyl-1,1,2-trimethyl-benz[e]indol-3-ium-7-sulfonic acid Formula: C17H20NO3S+ MolecularWeight: 318.4106

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C2=C1C=CC3=C2C=CC(=C3)S(=O)(=O)O)(C)C)C

Isomeric SMILES

CC[N+]1=C(C(C2=C1C=CC3=C2C=CC(=C3)S(=O)(=O)O)(C)C)C

InChI

InChI=1S/C17H19NO3S/c1-5-18-11(2)17(3,4)16-14-8-7-13(22(19,20)21)10-12(14)6-9-15(16)18/h6-10H,5H2,1-4H3/p+1