2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-[2-[4-[[3-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthalenyl]oxy]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:2)
CAS Registry Number®
63059-47-2
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CAS Name
2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-[2-[4-[[3-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthalenyl]oxy]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:2)Molecular Formula
C49H54N4O12S2.2NaCite this Page
2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-[2-[4-[[3-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthalenyl]oxy]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:2). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=63059-47-2 (retrieved ) (CAS RN: 63059-47-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C49H54N4O12S2.2Na/c1-8-48(4,5)31-16-21-40(38(26-31)49(6,7)9-2)64-23-13-12-22-50-47(57)37-28-41(35-14-10-11-15-36(35)45(37)55)65-33-19-17-32(18-20-33)52-53-44-42(67(61,62)63)25-30-24-34(66(58,59)60)27-39(51-29(3)54)43(30)46(44)56;;/h10-11,14-21,24-28,55-56H,8-9,12-13,22-23H2,1-7H3,(H,50,57)(H,51,54)(H,58,59,60)(H,61,62,63);;
InChIKey
InChIKey=TWXNMBJSUPUKTM-UHFFFAOYSA-N
SMILES
N(C(C)=O)C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=CC=C(OC=4C5=C(C(O)=C(C(NCCCCOC6=C(C(CC)(C)C)C=C(C(CC)(C)C)C=C6)=O)C4)C=CC=C5)C=C3)=C2O)C=C(S(=O)(=O)O)C1.[Na]
Canonical SMILES
[Na].O=C(NCCCCOC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)C=2C=C(OC3=CC=C(N=NC4=C(O)C5=C(C=C(C=C5NC(=O)C)S(=O)(=O)O)C=C4S(=O)(=O)O)C=C3)C=6C=CC=CC6C2O
Other Names for this Substance
- 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-[2-[4-[[3-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthalenyl]oxy]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:2)
- 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-[[4-[[3-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthalenyl]oxy]phenyl]azo]-4-hydroxy-, disodium salt
