[5-[4-(4-isocyanophenyl)-2,5-dimethoxy-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate

Systemtic Name: [5-[4-(4-isocyanophenyl)-2,5-dimethoxy-phenyl]-2-phenylmethoxy-phenyl] methanesulfonate Openeye Name: [2-benzyloxy-5-[4-(4-isocyanophenyl)-2,5-dimethoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[4-(4-isocyanophenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl] ester IUPAC Name: [5-[4-(4-isocyanophenyl)-2,5-dimethoxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-benzoxy-5-[4-(4-isocyanophenyl)-2,5-dimethoxy-phenyl]phenyl] ester Formula: C29H25NO6S MolecularWeight: 515.5769

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=C(C=C2)[N+]#[C-])OC)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=C(C=C2)[N+]#[C-])OC)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C29H25NO6S/c1-30-23-13-10-21(11-14-23)24-17-28(34-3)25(18-27(24)33-2)22-12-15-26(29(16-22)36-37(4,31)32)35-19-20-8-6-5-7-9-20/h5-18H,19H2,2-4H3