Compound Identification
SMILES
CN(C)C1=CC2=C(C=C1)C(=C1C=CC(C=C1O2)=[N+](C)C)C1=C(C=C(NC(=S)NC2=CC=C(CC3CN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CCN3CC(O)=O)C=C2)C=C1)C(O)=O
InChIKey
InChIKey=VNIWBJBHGOYMGE-UHFFFAOYSA-O
Formula
C48H57N8O11S
Mass
954.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
-
Subclass
1-benzopyrans
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Level 5
Dibenzopyrans
- Level 6 Xanthenes
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Level 5
Dibenzopyrans
-
Subclass
1-benzopyrans
-
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
Tetracarboxylic acids and derivatives Alpha amino acids N-phenylthioureas Benzoic acids Benzoyl derivatives Dialkylarylamines Aralkylamines Secondary ketimines Heteroaromatic compounds Amino acids Trialkylamines Thioureas Carboxylic acids Oxacyclic compounds Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthene - Tetracarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - N-phenylthiourea - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary ketimine - Tertiary aliphatic amine - Thiourea - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Amine - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic cation - 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