Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O

CAS: 2538-83-2

Name: trypan blue

IUPAC: 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: Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O

Canonical 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 formula: C34H28N6O14S4

Molecular weight: 872.90

InChIKey: ZBNARPCCDMHDDV-UHFFFAOYSA-N

InChI:

InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)

PubChem CID: 6297 →

Synonyms

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

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