1-(2-chloranyl-5-methoxy-pent-3-ynyl)sulfonyl-4-nitro-benzene

Systemtic Name: 1-(2-chloranyl-5-methoxy-pent-3-ynyl)sulfonyl-4-nitro-benzene Openeye Name: 1-(2-chloro-5-methoxy-pent-3-ynyl)sulfonyl-4-nitro-benzene CAS Name: 1-(2-chloro-5-methoxypent-3-ynyl)sulfonyl-4-nitrobenzene IUPAC Name: 1-(2-chloro-5-methoxypent-3-ynyl)sulfonyl-4-nitrobenzene Traditional Name: 1-(2-chloro-5-methoxy-pent-3-ynyl)sulfonyl-4-nitro-benzene Formula: C12H12ClNO5S MolecularWeight: 317.74538

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC(CS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

COCC#CC(CS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H12ClNO5S/c1-19-8-2-3-10(13)9-20(17,18)12-6-4-11(5-7-12)14(15)16/h4-7,10H,8-9H2,1H3