1-methyl-5-[2-(7-methylnaphthalen-1-yl)ethyl]naphthalene; 2,4,6-trinitrobenzene-1,3-diol

Systemtic Name: 1-methyl-5-[2-(7-methylnaphthalen-1-yl)ethyl]naphthalene; 2,4,6-trinitrobenzene-1,3-diol Openeye Name: 1-methyl-5-[2-(7-methyl-1-naphthyl)ethyl]naphthalene; 2,4,6-trinitrobenzene-1,3-diol CAS Name: 1-methyl-5-[2-(7-methyl-1-naphthalenyl)ethyl]naphthalene; 2,4,6-trinitrobenzene-1,3-diol IUPAC Name: 1-methyl-5-[2-(7-methylnaphthalen-1-yl)ethyl]naphthalene; 2,4,6-trinitrobenzene-1,3-diol Traditional Name: 1-methyl-5-[2-(7-methyl-1-naphthyl)ethyl]naphthalene; 2,4,6-trinitroresorcinol Formula: C30H25N3O8 MolecularWeight: 555.5348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2CCC3=CC=CC4=C3C=CC=C4C)C=C1.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=CC=C2CCC3=CC=CC4=C3C=CC=C4C)C=C1.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C24H22.C6H3N3O8/c1-17-12-13-20-7-4-8-21(24(20)16-17)15-14-19-9-5-10-22-18(2)6-3-11-23(19)22;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h3-13,16H,14-15H2,1-2H3;1,10-11H