5-(4-chloranyl-3-dodecylperoxysulfanyl-phenyl)-6H-pyrrolo[3,4-b]pyridine-7-carbaldehyde

Systemtic Name: 5-(4-chloranyl-3-dodecylperoxysulfanyl-phenyl)-6H-pyrrolo[3,4-b]pyridine-7-carbaldehyde Openeye Name: 5-(4-chloro-3-dodecylperoxysulfanyl-phenyl)-6H-pyrrolo[3,4-b]pyridine-7-carbaldehyde CAS Name: 2-chloro-5-(7-formyl-6H-pyrrolo[3,4-b]pyridin-5-yl)benzenesulfenic acid dodecoxy ester IUPAC Name: 5-(4-chloro-3-dodecylperoxysulfanylphenyl)-6H-pyrrolo[3,4-b]pyridine-7-carbaldehyde Traditional Name: 5-[4-chloro-3-(laurylperoxythio)phenyl]-6H-pyrrolo[3,4-b]pyridine-7-carbaldehyde Formula: C26H33ClN2O3S MolecularWeight: 489.06982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOOSC1=C(C=CC(=C1)C2=C3C=CC=NC3=C(N2)C=O)Cl

Isomeric SMILES

CCCCCCCCCCCCOOSC1=C(C=CC(=C1)C2=C3C=CC=NC3=C(N2)C=O)Cl

InChI

InChI=1S/C26H33ClN2O3S/c1-2-3-4-5-6-7-8-9-10-11-17-31-32-33-24-18-20(14-15-22(24)27)25-21-13-12-16-28-26(21)23(19-30)29-25/h12-16,18-19,29H,2-11,17H2,1H3