4-(2-dimethylaminoethyl)-3,4-dihydro-2H-1-benzothiepin-5-one; 2,4,6-trinitrophenol

Systemtic Name: 4-(2-dimethylaminoethyl)-3,4-dihydro-2H-1-benzothiepin-5-one; 2,4,6-trinitrophenol Openeye Name: 4-(2-dimethylaminoethyl)-3,4-dihydro-2H-1-benzothiepin-5-one; picric acid CAS Name: 4-(2-dimethylaminoethyl)-3,4-dihydro-2H-1-benzothiepin-5-one; 2,4,6-trinitrophenol IUPAC Name: 4-(2-dimethylaminoethyl)-3,4-dihydro-2H-1-benzothiepin-5-one; 2,4,6-trinitrophenol Traditional Name: 4-(2-dimethylaminoethyl)-3,4-dihydro-2H-1-benzothiepin-5-one; picric acid Formula: C20H22N4O8S MolecularWeight: 478.47568

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1CCSC2=CC=CC=C2C1=O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC1CCSC2=CC=CC=C2C1=O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H19NOS.C6H3N3O7/c1-15(2)9-7-11-8-10-17-13-6-4-3-5-12(13)14(11)16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,11H,7-10H2,1-2H3;1-2,10H