Products 690991-06-1

CAS 690991-06-1 appears in our catalog under these names: S100P–IN–1, S100P-IN-1, 99.74%, S100P-IN-1/ 99.74% (existing batch purity), 3-(1,3,3a,4,9,9a-Hexahydro-4-nitro-1,3-dioxo-4,9[1′,2′]-benzeno-2H-benz[f]isoindol-2-yl)benzoic acid. Offered by: GLPBio, MedChemExpress, TargetMol, Chemat. Available pack sizes: 10mg, 25mg, 50mg, 100 mg, 10 mg, 10mM/1mL, 25 mg, 50 mg.

S100P–IN–1
GLPBio
  • size: 10mg, 25mg, 50mg
  • Variants: 3
from 1888.86
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S100P-IN-1, 99.74%
MedChemExpress
  • size: 100 mg, 10 mg, 10mM/1mL, 25 mg
  • Variants: 6
from 1081.31
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S100P-IN-1/ 99.74% (existing batch purity)
TargetMol
  • size: 1mg
  • Variants: 1
from 824.40
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3-(1,3,3a,4,9,9a-Hexahydro-4-nitro-1,3-dioxo-4,9[1′,2′]-benzeno-2H-benz[f]isoindol-2-yl)benzoic acid
Chemat
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 6
from 534.80
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Structural formula: {0} (CAS {1})

3-(1-nitro-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid (CAS 690991-06-1) is a chemical compound with the molecular formula C25H16N2O6 and a molecular weight of 440.4 g/mol. IUPAC name: 3-(1-nitro-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid. InChIKey: MJGGCGYBUPPFMU-UHFFFAOYSA-N.

Identity
Molecular formulaC25H16N2O6
Molecular weight440.4 g/mol
IUPAC name3-(1-nitro-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
InChIKeyMJGGCGYBUPPFMU-UHFFFAOYSA-N
SMILESC1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)[N+](=O)[O-])C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O

Computed by PubChem (NCBI)

Synonyms: orb1687508
Isomers (same molecular formula)
2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-nitrobenzoic acid C25H16N2O6