3-ethyl-1,1,2-trimethyl-benzo[e]indol-3-ium-6,8-disulfonic acid

Systemtic Name: 3-ethyl-1,1,2-trimethyl-benzo[e]indol-3-ium-6,8-disulfonic acid Openeye Name: 3-ethyl-1,1,2-trimethyl-benzo[e]indol-3-ium-6,8-disulfonic acid CAS Name: 3-ethyl-1,1,2-trimethylbenzo[e]indol-3-ium-6,8-disulfonic acid IUPAC Name: 3-ethyl-1,1,2-trimethylbenzo[e]indol-3-ium-6,8-disulfonic acid Traditional Name: 3-ethyl-1,1,2-trimethyl-benz[e]indol-3-ium-6,8-disulfonic acid Formula: C17H20NO6S2+ MolecularWeight: 398.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C2=C1C=CC3=C(C=C(C=C32)S(=O)(=O)O)S(=O)(=O)O)(C)C)C

Isomeric SMILES

CC[N+]1=C(C(C2=C1C=CC3=C(C=C(C=C32)S(=O)(=O)O)S(=O)(=O)O)(C)C)C

InChI

InChI=1S/C17H19NO6S2/c1-5-18-10(2)17(3,4)16-13-8-11(25(19,20)21)9-15(26(22,23)24)12(13)6-7-14(16)18/h6-9H,5H2,1-4H3,(H-,19,20,21,22,23,24)/p+1