[2,5-bis(oxidanylidene)pyrrol-1-yl] 3-hexanoyl-5-nitro-4-oxidanyl-benzenesulfonate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrol-1-yl] 3-hexanoyl-5-nitro-4-oxidanyl-benzenesulfonate Openeye Name: (2,5-dioxopyrrol-1-yl) 3-hexanoyl-4-hydroxy-5-nitro-benzenesulfonate CAS Name: 4-hydroxy-3-nitro-5-(1-oxohexyl)benzenesulfonic acid (2,5-dioxo-1-pyrrolyl) ester IUPAC Name: (2,5-dioxopyrrol-1-yl) 3-hexanoyl-4-hydroxy-5-nitrobenzenesulfonate Traditional Name: 3-caproyl-4-hydroxy-5-nitro-benzenesulfonic acid maleimido ester Formula: C16H16N2O9S MolecularWeight: 412.37124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])S(=O)(=O)ON2C(=O)C=CC2=O

Isomeric SMILES

CCCCCC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])S(=O)(=O)ON2C(=O)C=CC2=O

InChI

InChI=1S/C16H16N2O9S/c1-2-3-4-5-13(19)11-8-10(9-12(16(11)22)18(23)24)28(25,26)27-17-14(20)6-7-15(17)21/h6-9,22H,2-5H2,1H3