1-Amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
CAS Registry Number®
105936-74-1
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CAS Name
1-Amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acidMolecular Formula
C32H26ClN7O11S3Molecular Mass
816.24Cite this Page
1-Amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=105936-74-1 (retrieved ) (CAS RN: 105936-74-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C32H26ClN7O11S3/c1-13-25(36-20-12-21(53(46,47)48)24(34)23-22(20)27(41)18-9-4-5-10-19(18)28(23)42)14(2)29(54(49,50)51)15(3)26(13)37-32-39-30(33)38-31(40-32)35-16-7-6-8-17(11-16)52(43,44)45/h4-12,36H,34H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,35,37,38,39,40)
InChIKey
InChIKey=OYYZSRVQTPSXRG-UHFFFAOYSA-N
SMILES
N(C1=C2C(C(=O)C=3C(C2=O)=CC=CC3)=C(N)C(S(=O)(=O)O)=C1)C4=C(C)C(NC=5N=C(NC6=CC(S(=O)(=O)O)=CC=C6)N=C(Cl)N5)=C(C)C(S(=O)(=O)O)=C4C
Canonical SMILES
O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=C(C(NC=5N=C(Cl)N=C(N5)NC6=CC=CC(=C6)S(=O)(=O)O)=C(C(=C4C)S(=O)(=O)O)C)C)=C13)S(=O)(=O)O
Other Names for this Substance
- 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-
- 1-Amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid