1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid

Systemtic Name: 1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid Openeye Name: 1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid CAS Name: 1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethyl-5-indol-1-iumsulfonic acid IUPAC Name: 1-[(3,5-dinitrophenyl)methyl]-2,3,3-trimethylindol-1-ium-5-sulfonic acid Traditional Name: 1-(3,5-dinitrobenzyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid Formula: C18H18N3O7S+ MolecularWeight: 420.41642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7S/c1-11-18(2,3)16-9-15(29(26,27)28)4-5-17(16)19(11)10-12-6-13(20(22)23)8-14(7-12)21(24)25/h4-9H,10H2,1-3H3/p+1