sodium 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]oxysulfonyl-2-hexanoyl-6-nitro-phenolate

Systemtic Name: sodium 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]oxysulfonyl-2-hexanoyl-6-nitro-phenolate Openeye Name: sodium 4-(2,5-dioxopyrrol-1-yl)oxysulfonyl-2-hexanoyl-6-nitro-phenolate CAS Name: sodium 4-[(2,5-dioxo-1-pyrrolyl)oxysulfonyl]-2-nitro-6-(1-oxohexyl)phenolate IUPAC Name: sodium 4-(2,5-dioxopyrrol-1-yl)oxysulfonyl-2-hexanoyl-6-nitrophenolate Traditional Name: sodium 2-caproyl-4-maleimidooxysulfonyl-6-nitro-phenolate Formula: C16H15N2NaO9S MolecularWeight: 434.35307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O9S.Na/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;/q;+1/p-1