Compound Identification
SMILES
COC1=CC(OC)=C(NC(=O)OC2=CC3=C(OC4(OCC=C)C(CC(=NOCC5=CC=C(C=C5)[N+]([O-])=O)C5=CC(CCCCO)C(CCCCO)C3C45)N(CCOCCO)C(=O)OCCCl)C=C2)C=C1
InChIKey
InChIKey=VVRPIBWQPNUHPM-UHFFFAOYSA-N
Formula
C50H63ClN4O15
Mass
995.52
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
Phenylcarbamic acid esters Dimethoxybenzenes Methoxyanilines Nitrobenzenes Anisoles Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Ketals Carbamate esters Oxime ethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Carbonyl compounds Organic zwitterions Organic salts Alkyl chlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthene - Phenylcarbamic acid ester - M-dimethoxybenzene - Dimethoxybenzene - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Ketal - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - C-nitro compound - Oxime ether - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Dialkyl ether - Ether - Acetal - Organic oxoazanium - Organic salt - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organic nitrogen compound - Organic zwitterion - 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