2-azanyl-1-(1-benzothiophen-3-yl)-2-methyl-propan-1-ol; 2,4,6-trinitrophenol

Systemtic Name: 2-azanyl-1-(1-benzothiophen-3-yl)-2-methyl-propan-1-ol; 2,4,6-trinitrophenol Openeye Name: 2-amino-1-(benzothiophen-3-yl)-2-methyl-propan-1-ol; picric acid CAS Name: 2-amino-1-(1-benzothiophen-3-yl)-2-methyl-1-propanol; 2,4,6-trinitrophenol IUPAC Name: 2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol; 2,4,6-trinitrophenol Traditional Name: 2-amino-1-(benzothiophen-3-yl)-2-methyl-propan-1-ol; picric acid Formula: C18H18N4O8S MolecularWeight: 450.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CSC2=CC=CC=C21)O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(C1=CSC2=CC=CC=C21)O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15NOS.C6H3N3O7/c1-12(2,13)11(14)9-7-15-10-6-4-3-5-8(9)10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7,11,14H,13H2,1-2H3;1-2,10H