CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N)O)C)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O
CAS: 2538-83-2
Название: 5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N)O)C)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O

Molecular Processing

Molecular formula
C34H28N6O14S4
Molecular weight
872.89
Exact mass
872.0546
XLogP
6.67
TPSA
359.42
H-bond donors
8
H-bond acceptors
16
Rotatable bonds
9
Heavy atoms
58
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
24
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
209.01

Supplementary Information

InChIKey: ZBNARPCCDMHDDV-UHFFFAOYSA-N
Синонимы
Trypan Blue free acid768N7QO4KHUNII-768N7QO4KHRefChem:58585TRYPAN BLUE2538-83-2Trypane BlueDiamineblueDianilblauPyrotropblauParkibleuParkipanBleu diamineChloramine BlueTripan BlueBenzaminblau 3BChloramiblau 3BAzirdinblau 3BBleu trypane NBenzanil Blue RDiaminblau 3BDirectblau 3BTriazolblau 3BXBenzoblau 3BCongoblau 3BDianilblau H3GRenolblau 3BBleu directe 3BTrypan Blue BPCAmidine Blue 4B
Источник →
Участвует в 3 реакциях→

Расширенный поиск

Поиск подструктуры→Поиск по сходству→