[4-[(4-butylsulfonyloxyphenyl)sulfonyl-diazo-methyl]sulfonylphenyl] butane-1-sulfonate

Systemtic Name: [4-[(4-butylsulfonyloxyphenyl)sulfonyl-diazo-methyl]sulfonylphenyl] butane-1-sulfonate Openeye Name: [4-[(4-butylsulfonyloxyphenyl)sulfonyl-diazo-methyl]sulfonylphenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [4-[(4-butylsulfonyloxyphenyl)sulfonyl-diazomethyl]sulfonylphenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [4-[(4-butylsulfonyloxyphenyl)sulfonyl-diazo-methyl]sulfonylphenyl] ester Formula: C21H26N2O10S4 MolecularWeight: 594.69854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=C(C=C1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=C(C=C2)OS(=O)(=O)CCCC

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=C(C=C1)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=C(C=C2)OS(=O)(=O)CCCC

InChI

InChI=1S/C21H26N2O10S4/c1-3-5-15-34(24,25)32-17-7-11-19(12-8-17)36(28,29)21(23-22)37(30,31)20-13-9-18(10-14-20)33-35(26,27)16-6-4-2/h7-14H,3-6,15-16H2,1-2H3