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

Systemtic Name: ethyl 2-(morpholin-4-ylmethyl)-3,3-dithiophen-2-yl-prop-2-enoate; 2,4,6-trinitrophenol Openeye Name: ethyl 2-(morpholinomethyl)-3,3-bis(2-thienyl)prop-2-enoate; picric acid CAS Name: 2-(4-morpholinylmethyl)-3,3-dithiophen-2-yl-2-propenoic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 2-(morpholin-4-ylmethyl)-3,3-dithiophen-2-ylprop-2-enoate; 2,4,6-trinitrophenol Traditional Name: 2-(morpholinomethyl)-3,3-bis(2-thienyl)acrylic acid ethyl ester; picric acid Formula: C24H24N4O10S2 MolecularWeight: 592.59816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=CS1)C2=CC=CS2)CN3CCOCC3.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)CN3CCOCC3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H21NO3S2.C6H3N3O7/c1-2-22-18(20)14(13-19-7-9-21-10-8-19)17(15-5-3-11-23-15)16-6-4-12-24-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,11-12H,2,7-10,13H2,1H3;1-2,10H