Molecule structure of Direct pure yellow (CAS NO.10130-29-7):
IUPAC Name: Sodium 2-[4-[2-(1-anilino-1,3-dioxobutan-2-ylidene)hydrazinyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
Molecular Weight: 530.55123 g/mol
Molecular Formula :C24H19N4NaO5S2
H-Bond Donor: 2
H-Bond Acceptor: 8
Rotatable Bond Count: 7
Tautomer Count: 20
Exact Mass: 530.069456
MonoIsotopic Mass: 530.069456
Topological Polar Surface Area: 141
Heavy Atom Count: 36
Canonical SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NN=C(C(=O)C)C(=O)NC4=CC=CC=C4)S=O)
(=O)[O-].[Na+]
InChI: InChI=1S/C24H20N4O5S2.Na/c1-14-8-13-19-21(22(14)35(31,32)33)34-24(26-19)16-9-11-18(12-10-16)27-28-20(15(2)29)23(30)25-17-6-4-3-5-7-17;/h3-13,27H,1-2H3,(H,25,30)(H,31,32,33);/q;+1/p-1
InChIKey: OZRXNTRXLHTVPI-UHFFFAOYSA-M
EINECS: 233-365-1
Product Categories of Direct pure yellow (CAS NO.10130-29-7): Organics
Direct pure yellow (CAS NO.10130-29-7) is also named as C.I. Direct Yellow 8 ; 7-Benzothiazolesulfonic acid, 6-methyl-2-(4-((2-oxo-1-((phenylamino)carbonyl)propyl)azo)phenyl)-, monosodium salt ; 7-Benzothiazolesulfonic acid, 6-methyl-2-(4-(2-(2-oxo-1-((phenylamino)carbonyl)propyl)diazenyl)phenyl)-, sodium salt (1:1) ; Sodium 6-methyl-2-(4-((2-oxo-1-
((phenylamino)carbonyl)propyl)azo)phenyl)benzothiazole-7-sulphonate .
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