2,6,6-trimethyl-1-(4-nitrophenyl)-4-oxidanylidene-5,7-dihydroindole-3-sulfonic acid

Systemtic Name: 2,6,6-trimethyl-1-(4-nitrophenyl)-4-oxidanylidene-5,7-dihydroindole-3-sulfonic acid Openeye Name: 2,6,6-trimethyl-1-(4-nitrophenyl)-4-oxo-5,7-dihydroindole-3-sulfonic acid CAS Name: 2,6,6-trimethyl-1-(4-nitrophenyl)-4-oxo-5,7-dihydroindole-3-sulfonic acid IUPAC Name: 2,6,6-trimethyl-1-(4-nitrophenyl)-4-oxo-5,7-dihydroindole-3-sulfonic acid Traditional Name: 4-keto-2,6,6-trimethyl-1-(4-nitrophenyl)-5,7-dihydroindole-3-sulfonic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=C(C=C3)[N+](=O)[O-])CC(CC2=O)(C)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=C(C=C3)[N+](=O)[O-])CC(CC2=O)(C)C)S(=O)(=O)O

InChI

InChI=1S/C17H18N2O6S/c1-10-16(26(23,24)25)15-13(8-17(2,3)9-14(15)20)18(10)11-4-6-12(7-5-11)19(21)22/h4-7H,8-9H2,1-3H3,(H,23,24,25)