[4-[diazo-[4-(4-methylphenyl)sulfonyloxyphenyl]sulfonyl-methyl]sulfonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[diazo-[4-(4-methylphenyl)sulfonyloxyphenyl]sulfonyl-methyl]sulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-[diazo-[4-(p-tolylsulfonyloxy)phenyl]sulfonyl-methyl]sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[diazo-[4-(4-methylphenyl)sulfonyloxyphenyl]sulfonylmethyl]sulfonylphenyl] ester IUPAC Name: [4-[diazo-[4-(4-methylphenyl)sulfonyloxyphenyl]sulfonylmethyl]sulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[diazo-(4-tosyloxyphenyl)sulfonyl-methyl]sulfonylphenyl] ester Formula: C27H22N2O10S4 MolecularWeight: 662.73098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H22N2O10S4/c1-19-3-11-25(12-4-19)42(34,35)38-21-7-15-23(16-8-21)40(30,31)27(29-28)41(32,33)24-17-9-22(10-18-24)39-43(36,37)26-13-5-20(2)6-14-26/h3-18H,1-2H3