dimethyl 2-(4-nitrophenyl)-2-prop-2-enyl-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(4-nitrophenyl)-2-prop-2-enyl-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-allyl-2-(4-nitrophenyl)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-(4-nitrophenyl)-2-prop-2-enyl-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(4-nitrophenyl)-2-prop-2-enyl-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-allyl-2-(4-nitrophenyl)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C16H15NO6S2 MolecularWeight: 381.4234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(S1)(CC=C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(S1)(CC=C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H15NO6S2/c1-4-9-16(10-5-7-11(8-6-10)17(20)21)24-12(14(18)22-2)13(25-16)15(19)23-3/h4-8H,1,9H2,2-3H3