Chemical ID: 7606849

CCC(=Cc1[n+](c2cc(ccc2s1)C)CCCS(=O)(=O)O)C=C3N(c4cc(ccc4S3)C)CCCS(=O)(=O)[O-]
Chemical ID:
7606849
Name [?]:
3-[5-methyl-2-[2-[[5-methyl-3-(3-sulfopropyl)benzothiazol-2-yl]methylene]butylidene]benzothiazol-3-yl]propane-1-sulfonate
SMILES [?]:
CCC(=Cc1[n+](c2cc(ccc2s1)C)CCCS(=O)(=O)O)C=C3N(c4cc(ccc4S3)C)CCCS(=O)(=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H32N2O6S4
All Atoms:71
Heavy Atoms:39
Chiral Atoms:None
ZAP Information [?]
Total:-32.031
Area:757.42
Solvation:-50.9665
Coulombic:-0.812576
Bond Count [?]
All:42
Single:29
Double:13
Rotors:11
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.51
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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