1-[2-(4-methylphenyl)ethyl]-3,4-dihydrophenanthrene; 2,4,6-trinitrophenol

Systemtic Name: 1-[2-(4-methylphenyl)ethyl]-3,4-dihydrophenanthrene; 2,4,6-trinitrophenol Openeye Name: picric acid; 1-[2-(p-tolyl)ethyl]-3,4-dihydrophenanthrene CAS Name: 1-[2-(4-methylphenyl)ethyl]-3,4-dihydrophenanthrene; 2,4,6-trinitrophenol IUPAC Name: 1-[2-(4-methylphenyl)ethyl]-3,4-dihydrophenanthrene; 2,4,6-trinitrophenol Traditional Name: picric acid; 1-[2-(p-tolyl)ethyl]-3,4-dihydrophenanthrene Formula: C29H25N3O7 MolecularWeight: 527.5247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2=CCCC3=C2C=CC4=CC=CC=C34.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CCC2=CCCC3=C2C=CC4=CC=CC=C34.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H22.C6H3N3O7/c1-17-9-11-18(12-10-17)13-14-20-6-4-8-23-21-7-3-2-5-19(21)15-16-22(20)23;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-3,5-7,9-12,15-16H,4,8,13-14H2,1H3;1-2,10H