(E)-4-[2-(4-chloranylbutylsulfanyl)phenyl]-3-nitro-but-3-en-2-one

Systemtic Name: (E)-4-[2-(4-chloranylbutylsulfanyl)phenyl]-3-nitro-but-3-en-2-one Openeye Name: (E)-4-[2-(4-chlorobutylsulfanyl)phenyl]-3-nitro-but-3-en-2-one CAS Name: (E)-4-[2-(4-chlorobutylthio)phenyl]-3-nitro-3-buten-2-one IUPAC Name: (E)-4-[2-(4-chlorobutylsulfanyl)phenyl]-3-nitrobut-3-en-2-one Traditional Name: (E)-4-[2-(4-chlorobutylthio)phenyl]-3-nitro-but-3-en-2-one Formula: C14H16ClNO3S MolecularWeight: 313.79974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1SCCCCCl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1SCCCCCl)/[N+](=O)[O-]

InChI

InChI=1S/C14H16ClNO3S/c1-11(17)13(16(18)19)10-12-6-2-3-7-14(12)20-9-5-4-8-15/h2-3,6-7,10H,4-5,8-9H2,1H3/b13-10+