Compound Identification
SMILES
CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.NC1=C(C2=C(C=C1)C(C1=C(C=C(C=C1)C(O)=O)C(O)=O)=C1C=CC(=[NH2+])C(=C1O2)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=BLIOXBBSSDHWHJ-UHFFFAOYSA-O
Formula
C39H60N5O11S2
Mass
839.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
-
Subclass
1-benzopyrans
-
Level 5
Dibenzopyrans
- Level 6 Xanthenes
-
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
M-phthalic acid and derivatives Arylsulfonic acids and derivatives Benzoic acids Benzoyl derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Trialkylamines Amino acids Oxacyclic compounds Carboxylic acids Primary amines Organic oxides Organooxygen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Xanthene - Meta_phthalic_acid - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Amino acid - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Primary amine - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Organic oxygen 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