2,3-bis(4-methylpentoxy)-5-nitro-naphthalene-1,4-dione

Systemtic Name: 2,3-bis(4-methylpentoxy)-5-nitro-naphthalene-1,4-dione Openeye Name: 2,3-diisohexyloxy-5-nitro-naphthalene-1,4-dione CAS Name: 2,3-bis(4-methylpentoxy)-5-nitronaphthalene-1,4-dione IUPAC Name: 2,3-bis(4-methylpentoxy)-5-nitronaphthalene-1,4-dione Traditional Name: 2,3-diisohexyloxy-5-nitro-1,4-naphthoquinone Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=C(C(=O)C2=C(C1=O)C=CC=C2[N+](=O)[O-])OCCCC(C)C

Isomeric SMILES

CC(C)CCCOC1=C(C(=O)C2=C(C1=O)C=CC=C2[N+](=O)[O-])OCCCC(C)C

InChI

InChI=1S/C22H29NO6/c1-14(2)8-6-12-28-21-19(24)16-10-5-11-17(23(26)27)18(16)20(25)22(21)29-13-7-9-15(3)4/h5,10-11,14-15H,6-9,12-13H2,1-4H3