2-diazonio-5-(2-ethyl-4-methoxycarbonyl-6-methyl-7-oxidanyl-7-oxidanylidene-heptanoyl)oxysulfonyl-naphthalen-1-olate

Systemtic Name: 2-diazonio-5-(2-ethyl-4-methoxycarbonyl-6-methyl-7-oxidanyl-7-oxidanylidene-heptanoyl)oxysulfonyl-naphthalen-1-olate Openeye Name: 2-diazonio-5-(2-ethyl-7-hydroxy-4-methoxycarbonyl-6-methyl-7-oxo-heptanoyl)oxysulfonyl-naphthalen-1-olate CAS Name: 2-diazonio-5-(2-ethyl-7-hydroxy-4-methoxycarbonyl-6-methyl-1,7-dioxoheptoxy)sulfonyl-1-naphthalenolate IUPAC Name: 2-diazonio-5-(2-ethyl-7-hydroxy-4-methoxycarbonyl-6-methyl-7-oxoheptanoyl)oxysulfonylnaphthalen-1-olate Traditional Name: 5-(4-carbomethoxy-2-ethyl-7-hydroxy-7-keto-6-methyl-heptanoyl)oxysulfonyl-2-diazonio-naphthalen-1-olate Formula: C22H24N2O9S MolecularWeight: 492.49896

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C(=O)O)C(=O)OC)C(=O)OS(=O)(=O)C1=CC=CC2=C1C=CC(=C2[O-])[N+]#N

Isomeric SMILES

CCC(CC(CC(C)C(=O)O)C(=O)OC)C(=O)OS(=O)(=O)C1=CC=CC2=C1C=CC(=C2[O-])[N+]#N

InChI

InChI=1S/C22H24N2O9S/c1-4-13(11-14(21(28)32-3)10-12(2)20(26)27)22(29)33-34(30,31)18-7-5-6-16-15(18)8-9-17(24-23)19(16)25/h5-9,12-14H,4,10-11H2,1-3H3,(H-,25,26,27)