2,3-dihexoxy-5-nitro-naphthalene-1,4-dione

Systemtic Name: 2,3-dihexoxy-5-nitro-naphthalene-1,4-dione Openeye Name: 2,3-dihexoxy-5-nitro-naphthalene-1,4-dione CAS Name: 2,3-dihexoxy-5-nitronaphthalene-1,4-dione IUPAC Name: 2,3-dihexoxy-5-nitronaphthalene-1,4-dione Traditional Name: 2,3-dihexoxy-5-nitro-1,4-naphthoquinone Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=O)C2=C(C1=O)C=CC=C2[N+](=O)[O-])OCCCCCC

Isomeric SMILES

CCCCCCOC1=C(C(=O)C2=C(C1=O)C=CC=C2[N+](=O)[O-])OCCCCCC

InChI

InChI=1S/C22H29NO6/c1-3-5-7-9-14-28-21-19(24)16-12-11-13-17(23(26)27)18(16)20(25)22(21)29-15-10-8-6-4-2/h11-13H,3-10,14-15H2,1-2H3