C30H30N2O4S2

3-[2-[2-[(3-ethyl-5-phenyl-3H-1,3-benzoxazol-3-ium-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

Also Known As: EINECS 226-877-1|3-Ethyl-2-(2-((3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-5-phenylbenzoxazolium|3-ethyl-2-[2-[[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-phenylbenzoxazolium

Molecular Formula	C30H31N2O4S2+
Molecular Weight	547.17255 g/mol
LogP	5.05
Topological Polar Surface Area	74.75 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	9
Exact Mass	547.17255
Heavy Atoms	38
Complexity	1622.8

Chemical Identifiers

CAS Number	5529-89-5
SMILES	CCC(=CC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-])C=C3[NH+](C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CC