pentyl 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: pentyl 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: pentyl 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid pentyl ester IUPAC Name: pentyl 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid amyl ester Formula: C11H14ClNO5S MolecularWeight: 307.75056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCOS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H14ClNO5S/c1-2-3-4-7-18-19(16,17)9-5-6-10(12)11(8-9)13(14)15/h5-6,8H,2-4,7H2,1H3