AC1O3TQ0

7-[[4-[[4-[5-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-2-sulfoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid

Also Known As: EINECS 299-578-7|7-((2-((Aminocarbonyl)amino)-4-((4-((5-((4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino)-2-sulphophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonic acid|7-[[2-[ amino]-4-[[4-[[5-[ amino]-2-sulphophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonicacid|7-[[2-[(AMINOCARBONYL)AMINO]-4-[[4-[[5-[(4-AMINO-9,10-DIHYDRO-9,10-DIOXO-3-SULFO-1-ANTHRYL)AMINO]-2-SULFOPHENYL]AMINO]-6-CHLORO-1,3,5-TRIAZIN-2-YL]AMINO]PHENYL]AZO]NAPHTHALENE-1,3,6-TRISULFONIC ACID|7-[[2-[(aminocarbonyl)amino]-4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino]-2-sulphophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid|7-[[2-[(Aminocarbonyl)amino]-4-[[4-[[5-[[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfoanthracen)-1-yl]amino]-2-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]-1,3,6-naphthalenetrisulfonic acid|7-[[4-[[4-[5-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-2-sulfoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid|7-[2-(4-{[4-({5-[(4-amino-9,10-dioxo-3-sulfo-9,10-dihydroanthracen-1-yl)amino]-2-sulfophenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}-2-(carbamoylamino)phenyl)diazen-1-yl]naphthalene-1,3,6-trisulfonic acid|7-[2-[2-[(Aminocarbonyl)amino]-4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonic acid

Molecular Formula	C40H28ClN11O18S5
Molecular Weight	1144.9906 g/mol
LogP	5.4061
Topological Polar Surface Area	486.61 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	22
Rotatable Bonds	14
Exact Mass	1144.9906
Monoisotopic Mass	1144.9906
Heavy Atoms	75
Complexity	4337.468

Chemical Identifiers

CAS Number	93892-91-2
SMILES	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)O)NC5=NC(=NC(=N5)NC6=CC(=C(C=C6)N=NC7=CC8=C(C=C(C=C8C=C7S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Cl)S(=O)(=O)O)N