4-(2-nitrocyclohexa-1,5-dien-1-yl)oxythiobenzaldehyde

Systemtic Name: 4-(2-nitrocyclohexa-1,5-dien-1-yl)oxythiobenzaldehyde Openeye Name: 4-(2-nitrocyclohexa-1,5-dien-1-yl)oxythiobenzaldehyde CAS Name: 4-[(2-nitro-1-cyclohexa-1,5-dienyl)oxy]thiobenzaldehyde IUPAC Name: 4-(2-nitrocyclohexa-1,5-dien-1-yl)oxythiobenzaldehyde Traditional Name: 4-(2-nitrocyclohexa-1,5-dien-1-yl)oxythiobenzaldehyde Formula: C13H11NO3S MolecularWeight: 261.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1)OC2=CC=C(C=C2)C=S)[N+](=O)[O-]

Isomeric SMILES

C1CC(=C(C=C1)OC2=CC=C(C=C2)C=S)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO3S/c15-14(16)12-3-1-2-4-13(12)17-11-7-5-10(9-18)6-8-11/h2,4-9H,1,3H2