1-[(1E,3E)-4-methylsulfonyl-2-nitro-3-(phenylsulfonyl)buta-1,3-dienyl]naphthalene

Systemtic Name: 1-[(1E,3E)-4-methylsulfonyl-2-nitro-3-(phenylsulfonyl)buta-1,3-dienyl]naphthalene Openeye Name: 1-[(1E,3E)-3-(benzenesulfonyl)-4-methylsulfonyl-2-nitro-buta-1,3-dienyl]naphthalene CAS Name: 1-[(1E,3E)-3-(benzenesulfonyl)-4-methylsulfonyl-2-nitrobuta-1,3-dienyl]naphthalene IUPAC Name: 1-[(1E,3E)-3-(benzenesulfonyl)-4-methylsulfonyl-2-nitrobuta-1,3-dienyl]naphthalene Traditional Name: 1-[(1E,3E)-3-besyl-4-mesyl-2-nitro-buta-1,3-dienyl]naphthalene Formula: C21H17NO6S2 MolecularWeight: 443.49278

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C=C(C(=CC1=CC=CC2=CC=CC=C21)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)/C=C(\C(=C/C1=CC=CC2=CC=CC=C21)\[N+](=O)[O-])/S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H17NO6S2/c1-29(25,26)15-21(30(27,28)18-11-3-2-4-12-18)20(22(23)24)14-17-10-7-9-16-8-5-6-13-19(16)17/h2-15H,1H3/b20-14+,21-15+