2,3-bis(4-methylpentoxy)-6-nitro-naphthalene-1,4-dione

Systemtic Name: 2,3-bis(4-methylpentoxy)-6-nitro-naphthalene-1,4-dione Openeye Name: 2,3-diisohexyloxy-6-nitro-naphthalene-1,4-dione CAS Name: 2,3-bis(4-methylpentoxy)-6-nitronaphthalene-1,4-dione IUPAC Name: 2,3-bis(4-methylpentoxy)-6-nitronaphthalene-1,4-dione Traditional Name: 2,3-diisohexyloxy-6-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)7-5-11-28-21-19(24)17-10-9-16(23(26)27)13-18(17)20(25)22(21)29-12-6-8-15(3)4/h9-10,13-15H,5-8,11-12H2,1-4H3