1-methyl-7-propan-2-yl-naphthalene; 2,4,6-trinitrobenzene-1,3-diol

Systemtic Name: 1-methyl-7-propan-2-yl-naphthalene; 2,4,6-trinitrobenzene-1,3-diol Openeye Name: 7-isopropyl-1-methyl-naphthalene; 2,4,6-trinitrobenzene-1,3-diol CAS Name: 1-methyl-7-propan-2-ylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol IUPAC Name: 1-methyl-7-propan-2-ylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol Traditional Name: eudalene; 2,4,6-trinitroresorcinol Formula: C20H19N3O8 MolecularWeight: 429.38016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(C=C2)C(C)C.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1C=C(C=C2)C(C)C.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C14H16.C6H3N3O8/c1-10(2)13-8-7-12-6-4-5-11(3)14(12)9-13;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h4-10H,1-3H3;1,10-11H