3,3-bis(methylsulfanyl)-2-(4-nitrophenyl)carbonyl-prop-2-enal

Systemtic Name: 3,3-bis(methylsulfanyl)-2-(4-nitrophenyl)carbonyl-prop-2-enal Openeye Name: 3,3-bis(methylsulfanyl)-2-(4-nitrobenzoyl)prop-2-enal CAS Name: 3,3-bis(methylthio)-2-[(4-nitrophenyl)-oxomethyl]-2-propenal IUPAC Name: 3,3-bis(methylsulfanyl)-2-(4-nitrobenzoyl)prop-2-enal Traditional Name: 3,3-bis(methylthio)-2-(4-nitrobenzoyl)acrolein Formula: C12H11NO4S2 MolecularWeight: 297.35004

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C=O)C(=O)C1=CC=C(C=C1)[N+](=O)[O-])SC

Isomeric SMILES

CSC(=C(C=O)C(=O)C1=CC=C(C=C1)[N+](=O)[O-])SC

InChI

InChI=1S/C12H11NO4S2/c1-18-12(19-2)10(7-14)11(15)8-3-5-9(6-4-8)13(16)17/h3-7H,1-2H3