4-(3-nitrocyclohexa-1,3-dien-1-yl)oxythiobenzaldehyde

Systemtic Name: 4-(3-nitrocyclohexa-1,3-dien-1-yl)oxythiobenzaldehyde Openeye Name: 4-(3-nitrocyclohexa-1,3-dien-1-yl)oxythiobenzaldehyde CAS Name: 4-[(3-nitro-1-cyclohexa-1,3-dienyl)oxy]thiobenzaldehyde IUPAC Name: 4-(3-nitrocyclohexa-1,3-dien-1-yl)oxythiobenzaldehyde Traditional Name: 4-(3-nitrocyclohexa-1,3-dien-1-yl)oxythiobenzaldehyde Formula: C13H11NO3S MolecularWeight: 261.29634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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