4,5,6,7-tetrahydro-1-benzothiophen-4-amine; 2,4,6-trinitrophenol

Systemtic Name: 4,5,6,7-tetrahydro-1-benzothiophen-4-amine; 2,4,6-trinitrophenol Openeye Name: picric acid; 4,5,6,7-tetrahydrobenzothiophen-4-amine CAS Name: 4,5,6,7-tetrahydro-1-benzothiophen-4-amine; 2,4,6-trinitrophenol IUPAC Name: 4,5,6,7-tetrahydro-1-benzothiophen-4-amine; 2,4,6-trinitrophenol Traditional Name: picric acid; 4,5,6,7-tetrahydrobenzothiophen-4-ylamine Formula: C14H14N4O7S MolecularWeight: 382.34856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)SC=C2)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(C2=C(C1)SC=C2)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H11NS.C6H3N3O7/c9-7-2-1-3-8-6(7)4-5-10-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,7H,1-3,9H2;1-2,10H