ethyl 2-(piperidin-1-ylmethyl)-3,3-dithiophen-2-yl-prop-2-enoate; 2,4,6-trinitrophenol

Systemtic Name: ethyl 2-(piperidin-1-ylmethyl)-3,3-dithiophen-2-yl-prop-2-enoate; 2,4,6-trinitrophenol Openeye Name: ethyl 2-(1-piperidylmethyl)-3,3-bis(2-thienyl)prop-2-enoate; picric acid CAS Name: 2-(1-piperidinylmethyl)-3,3-dithiophen-2-yl-2-propenoic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 2-(piperidin-1-ylmethyl)-3,3-dithiophen-2-ylprop-2-enoate; 2,4,6-trinitrophenol Traditional Name: picric acid; 2-(piperidinomethyl)-3,3-bis(2-thienyl)acrylic acid ethyl ester Formula: C25H26N4O9S2 MolecularWeight: 590.62534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=CS1)C2=CC=CS2)CN3CCCCC3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=C(C1=CC=CS1)C2=CC=CS2)CN3CCCCC3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H23NO2S2.C6H3N3O7/c1-2-22-19(21)15(14-20-10-4-3-5-11-20)18(16-8-6-12-23-16)17-9-7-13-24-17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-9,12-13H,2-5,10-11,14H2,1H3;1-2,10H