AC1NWBW1

3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate

Also Known As: 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate

Molecular Formula	C50H58N4O8S2
Molecular Weight	906.3696 g/mol
LogP	8.4416
Topological Polar Surface Area	150.6 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	11
Exact Mass	906.3696
Monoisotopic Mass	906.3696
Heavy Atoms	64
Complexity	2725.1277

Chemical Identifiers

CAS Number	54849-69-3
SMILES	CCOC(=O)N1CC[N+](=C\2/C(=C/C=C/3\C(C4=C(N3CCCS(=O)(=O)O)C5=CC=CC=C5C=C4)(C)C)/CC/C2=C\C=C\6/C(C7=C(N6CCCS(=O)(=O)[O-])C8=CC=CC=C8C=C7)(C)C)CC1