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

Systemtic Name: 2-[2-methoxy-6-nitro-4-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]phenoxy]ethanol Openeye Name: 2-[2-methoxy-6-nitro-4-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]phenoxy]ethanol CAS Name: 2-[2-methoxy-6-nitro-4-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]phenoxy]ethanol IUPAC Name: 2-[2-methoxy-6-nitro-4-[4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]phenoxy]ethanol Traditional Name: 2-[2-methoxy-6-nitro-4-[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(=C(C(=C3)OC)OCCO)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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