(6-nitro-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methanol

Systemtic Name: (6-nitro-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methanol Openeye Name: (6-nitro-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methanol CAS Name: (6-nitro-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methanol IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methanol Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methanol Formula: C17H17NO8 MolecularWeight: 363.31878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O

InChI

InChI=1S/C17H17NO8/c1-22-14-4-9(5-15(23-2)17(14)24-3)16(19)10-6-12-13(26-8-25-12)7-11(10)18(20)21/h4-7,16,19H,8H2,1-3H3