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

Systemtic Name: [4-[4-(3-methoxy-4-phenylmethoxy-phenyl)-2,5-dimethyl-3-nitro-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-benzyloxy-3-methoxy-phenyl)-2,5-dimethyl-3-nitro-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethyl-3-nitrophenyl]phenyl] ester IUPAC Name: [4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethyl-3-nitrophenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-benzoxy-3-methoxy-phenyl)-2,5-dimethyl-3-nitro-phenyl]phenyl] ester Formula: C29H27NO7S MolecularWeight: 533.59218

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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)OCC4=CC=CC=C4)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)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C29H27NO7S/c1-19-16-25(22-10-13-24(14-11-22)37-38(4,33)34)20(2)29(30(31)32)28(19)23-12-15-26(27(17-23)35-3)36-18-21-8-6-5-7-9-21/h5-17H,18H2,1-4H3