1-[10,10-bis(oxidanylidene)phenoxathiin-1-yl]-2-nitro-ethanol

Systemtic Name: 1-[10,10-bis(oxidanylidene)phenoxathiin-1-yl]-2-nitro-ethanol Openeye Name: 1-(10,10-dioxophenoxathiin-1-yl)-2-nitro-ethanol CAS Name: 1-(10,10-dioxo-1-phenoxathiinyl)-2-nitroethanol IUPAC Name: 1-(10,10-dioxophenoxathiin-1-yl)-2-nitroethanol Traditional Name: 1-(10,10-diketophenoxathiin-1-yl)-2-nitro-ethanol Formula: C14H11NO6S MolecularWeight: 321.30524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=CC=CC(=C3S2(=O)=O)C(C[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)OC3=CC=CC(=C3S2(=O)=O)C(C[N+](=O)[O-])O

InChI

InChI=1S/C14H11NO6S/c16-10(8-15(17)18)9-4-3-6-12-14(9)22(19,20)13-7-2-1-5-11(13)21-12/h1-7,10,16H,8H2