3,3-dimethyl-1-oxidanylidene-9-phenylmethoxy-2H-benzo[g]indol-1-ium-2,5-diol

Systemtic Name: 3,3-dimethyl-1-oxidanylidene-9-phenylmethoxy-2H-benzo[g]indol-1-ium-2,5-diol Openeye Name: 9-benzyloxy-3,3-dimethyl-1-oxo-2H-benzo[g]indol-1-ium-2,5-diol CAS Name: 3,3-dimethyl-1-oxo-9-phenylmethoxy-2H-benzo[g]indol-1-ium-2,5-diol IUPAC Name: 3,3-dimethyl-1-oxo-9-phenylmethoxy-2H-benzo[g]indol-1-ium-2,5-diol Traditional Name: 9-benzoxy-1-keto-3,3-dimethyl-2H-benz[g]indol-1-ium-2,5-diol Formula: C21H20NO4+ MolecularWeight: 350.3878

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([N+](=O)C2=C3C(=C(C=C21)O)C=CC=C3OCC4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C([N+](=O)C2=C3C(=C(C=C21)O)C=CC=C3OCC4=CC=CC=C4)O)C

InChI

InChI=1S/C21H19NO4/c1-21(2)15-11-16(23)14-9-6-10-17(18(14)19(15)22(25)20(21)24)26-12-13-7-4-3-5-8-13/h3-11,20,24H,12H2,1-2H3/p+1