2-[2-methoxy-4-nitro-6-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]phenoxy]ethanol

Systemtic Name: 2-[2-methoxy-4-nitro-6-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]phenoxy]ethanol Openeye Name: 2-[2-methoxy-4-nitro-6-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]phenoxy]ethanol CAS Name: 2-[2-methoxy-4-nitro-6-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]phenoxy]ethanol IUPAC Name: 2-[2-methoxy-4-nitro-6-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]phenoxy]ethanol Traditional Name: 2-[2-methoxy-4-nitro-6-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]phenoxy]ethanol Formula: C21H25NO8S2 MolecularWeight: 483.5551

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CSC(S2)C3=CC(=CC(=C3OCCO)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CSC(S2)C3=CC(=CC(=C3OCCO)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25NO8S2/c1-26-15-7-12(8-16(27-2)20(15)29-4)18-11-31-21(32-18)14-9-13(22(24)25)10-17(28-3)19(14)30-6-5-23/h7-10,18,21,23H,5-6,11H2,1-4H3