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

Systemtic Name: 1-methyl-5-[2-(7-methylnaphthalen-1-yl)ethyl]naphthalene; 2,4,6-trinitrophenol Openeye Name: 1-methyl-5-[2-(7-methyl-1-naphthyl)ethyl]naphthalene; picric acid CAS Name: 1-methyl-5-[2-(7-methyl-1-naphthalenyl)ethyl]naphthalene; 2,4,6-trinitrophenol IUPAC Name: 1-methyl-5-[2-(7-methylnaphthalen-1-yl)ethyl]naphthalene; 2,4,6-trinitrophenol Traditional Name: 1-methyl-5-[2-(7-methyl-1-naphthyl)ethyl]naphthalene; picric acid Formula: C30H25N3O7 MolecularWeight: 539.5354

Click to see the large picture

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-])[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-])[N+](=O)[O-]

InChI

InChI=1S/C24H22.C6H3N3O7/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;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-13,16H,14-15H2,1-2H3;1-2,10H