[3-[5-methyl-2-(4-nitrophenyl)sulfonyloxy-phenyl]-3-phenyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[5-methyl-2-(4-nitrophenyl)sulfonyloxy-phenyl]-3-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-[5-methyl-2-(4-nitrophenyl)sulfonyloxy-phenyl]-3-phenyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[5-methyl-2-(4-nitrophenyl)sulfonyloxyphenyl]-3-phenylpropyl] ester IUPAC Name: [3-[5-methyl-2-(4-nitrophenyl)sulfonyloxyphenyl]-3-phenylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(5-methyl-2-nosyloxy-phenyl)-3-phenyl-propyl] ester Formula: C29H27NO8S2 MolecularWeight: 581.65658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27NO8S2/c1-21-8-13-25(14-9-21)39(33,34)37-19-18-27(23-6-4-3-5-7-23)28-20-22(2)10-17-29(28)38-40(35,36)26-15-11-24(12-16-26)30(31)32/h3-17,20,27H,18-19H2,1-2H3