Compound Identification
SMILES
OCCCCC1C=C2C3C(C1CCCCO)C1=C(OC3(OCC=C)C(CC2=NOC2CCCCO2)N(CC2=CC=C(F)C=C2)C(=O)OC2=CC=C(C=C2)[N+]([O-])=O)C=CC(OCCSC2=CC=CC=C2)=C1
InChIKey
InChIKey=BVNNRNPPXVYTMT-UHFFFAOYSA-N
Formula
C54H62FN3O11S
Mass
980.16
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
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Level 5
Dibenzopyrans
- Level 6 Xanthenes
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Level 5
Dibenzopyrans
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Subclass
1-benzopyrans
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Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Dibenzopyrans
Direct Parent
Xanthenes
Alternative Parents
Nitrobenzenes Thiophenol ethers Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Ketals Oxanes Aryl fluorides Carbamate esters Oxime ethers Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Carbonyl compounds Organic zwitterions Organofluorides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthene - Nitrobenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkyl aryl ether - Ketal - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Benzenoid - Oxane - Monocyclic benzene moiety - Carbamic acid ester - Oxime ether - Organic nitro compound - C-nitro compound - Acetal - Ether - Oxacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organofluoride - Organic oxygen compound - Organohalogen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Primary alcohol - Carbonyl group - Organic zwitterion - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
External Descriptors
Not available