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

Systemtic Name: [4-[(4-tert-butylphenyl)sulfonyl-diazo-methyl]sulfonylphenyl] butane-1-sulfonate Openeye Name: [4-[(4-tert-butylphenyl)sulfonyl-diazo-methyl]sulfonylphenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [4-[(4-tert-butylphenyl)sulfonyl-diazomethyl]sulfonylphenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [4-[(4-tert-butylphenyl)sulfonyl-diazo-methyl]sulfonylphenyl] ester Formula: C21H26N2O7S3 MolecularWeight: 514.63534

Click to see the large picture

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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O7S3/c1-5-6-15-31(24,25)30-17-9-13-19(14-10-17)33(28,29)20(23-22)32(26,27)18-11-7-16(8-12-18)21(2,3)4/h7-14H,5-6,15H2,1-4H3