Einecs 252-876-0

2-[[4-(4-butoxysulfonylanilino)-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]-5-butylbenzenesulfonic acid

Also Known As: EINECS 252-876-0|2-[(4-{[4-(butoxysulfonyl)phenyl]amino}-5,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-5-butylbenzenesulfonic acid|2(Or 5)-butyl-5(or 2)-((4-((4-butylsulphophenyl)amino)-9,10-dihydro-5,8-dihydroxy-9,10-dioxo-1-anthryl)amino)benzenesulphonic acid|2-[[4-(4-butoxysulfonylanilino)-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]-5-butylbenzenesulfonic acid

Molecular Formula	C34H34N2O10S2
Molecular Weight	694.16547 g/mol
LogP	6.46
Topological Polar Surface Area	196.4 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	13
Exact Mass	694.16547
Heavy Atoms	48
Complexity	2128.1

Chemical Identifiers

CAS Number	36117-75-6
SMILES	CCCCC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)S(=O)(=O)OCCCC)C(=O)C5=C(C=CC(=C5C3=O)O)O)S(=O)(=O)O