1-Amino-4-[[3-[[4-chloro-6-(4-sulfophenoxy)-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®
25965-91-7
CAS Name
1-Amino-4-[[3-[[4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acidMolecular Formula
C32H25ClN6O12S3Molecular Mass
817.22Cite this Page
1-Amino-4-[[3-[[4-chloro-6-(4-sulfophenoxy)-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=25965-91-7 (retrieved ) (CAS RN: 25965-91-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C32H25ClN6O12S3/c1-13-25(35-20-12-21(53(45,46)47)24(34)23-22(20)27(40)18-6-4-5-7-19(18)28(23)41)14(2)29(54(48,49)50)15(3)26(13)36-31-37-30(33)38-32(39-31)51-16-8-10-17(11-9-16)52(42,43)44/h4-12,35H,34H2,1-3H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,36,37,38,39)
InChIKey
InChIKey=QECGUTSSKABWFV-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(OC6=CC=C(S(=O)(=O)O)C=C6)N=C(Cl)N5)=C(C)C(S(=O)(=O)O)=C4C
Canonical SMILES
O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4=C(C(NC=5N=C(Cl)N=C(N5)OC6=CC=C(C=C6)S(=O)(=O)O)=C(C(=C4C)S(=O)(=O)O)C)C
Other Names for this Substance
- 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-
- 2-Anthracenesulfonic acid, 1-amino-4-[3-[[4-chloro-6-(p-sulfophenoxy)-s-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfoanilino]-9,10-dihydro-9,10-dioxo-
- 1-Amino-4-[[3-[[4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
