[1-(4-fluoranyl-3-nitro-phenyl)-7-(4-methoxy-3-propan-2-yloxy-phenyl)heptan-3-yl] methanesulfonate

Systemtic Name: [1-(4-fluoranyl-3-nitro-phenyl)-7-(4-methoxy-3-propan-2-yloxy-phenyl)heptan-3-yl] methanesulfonate Openeye Name: [1-[2-(4-fluoro-3-nitro-phenyl)ethyl]-5-(3-isopropoxy-4-methoxy-phenyl)pentyl] methanesulfonate CAS Name: methanesulfonic acid [1-(4-fluoro-3-nitrophenyl)-7-(4-methoxy-3-propan-2-yloxyphenyl)heptan-3-yl] ester IUPAC Name: [1-(4-fluoro-3-nitrophenyl)-7-(4-methoxy-3-propan-2-yloxyphenyl)heptan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-[2-(4-fluoro-3-nitro-phenyl)ethyl]-5-(3-isopropoxy-4-methoxy-phenyl)pentyl] ester Formula: C24H32FNO7S MolecularWeight: 497.576783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1)CCCCC(CCC2=CC(=C(C=C2)F)[N+](=O)[O-])OS(=O)(=O)C)OC

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1)CCCCC(CCC2=CC(=C(C=C2)F)[N+](=O)[O-])OS(=O)(=O)C)OC

InChI

InChI=1S/C24H32FNO7S/c1-17(2)32-24-16-18(11-14-23(24)31-3)7-5-6-8-20(33-34(4,29)30)12-9-19-10-13-21(25)22(15-19)26(27)28/h10-11,13-17,20H,5-9,12H2,1-4H3