1-[(E)-prop-1-enyl]naphthalene; 2,4,6-trinitrophenol

Systemtic Name: 1-[(E)-prop-1-enyl]naphthalene; 2,4,6-trinitrophenol Openeye Name: picric acid; 1-[(E)-prop-1-enyl]naphthalene CAS Name: 1-[(E)-prop-1-enyl]naphthalene; 2,4,6-trinitrophenol IUPAC Name: 1-[(E)-prop-1-enyl]naphthalene; 2,4,6-trinitrophenol Traditional Name: picric acid; 1-[(E)-prop-1-enyl]naphthalene Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC=CC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C/C=C/C1=CC=CC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H12.C6H3N3O7/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-10H,1H3;1-2,10H/b6-2+;