[4-[4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethyl-3-nitro-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethyl-3-nitro-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethyl-3-nitro-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethyl-3-nitrophenyl]phenyl] ester IUPAC Name: [4-[4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethyl-3-nitrophenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethyl-3-nitro-phenyl]phenyl] ester Formula: C27H29NO7S MolecularWeight: 511.58666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)C)[N+](=O)[O-])C3=CC(=C(C=C3)OCC=C(C)C)OC

Isomeric SMILES

CC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)C)[N+](=O)[O-])C3=CC(=C(C=C3)OCC=C(C)C)OC

InChI

InChI=1S/C27H29NO7S/c1-17(2)13-14-34-24-12-9-21(16-25(24)33-5)26-18(3)15-23(19(4)27(26)28(29)30)20-7-10-22(11-8-20)35-36(6,31)32/h7-13,15-16H,14H2,1-6H3