CAS:80435-40-1 Benzoic acid, 2-[[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[[3-[[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxybenzoyl]amino]-, monosodium salt China Chemical

Benzoic acid, 2-[[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[[3-[[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxybenzoyl]amino]-, monosodium salt

CAS:80435-40-1

SKU： NCC.80435.40.1 分类： Study Chemistry

保证安全结账

CAS Registry Number^®

80435-40-1

CAS Name

Benzoic acid, 2-[2-[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-5-[[3-[2-[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxybenzoyl]amino]-, sodium salt (1:1)

Molecular Formula

C₃₄H₂₉N₁₁O₆.Na

Molecular Mass

710.66

Other Names and Identifiers

InChI

InChI=1S/C34H29N11O6.Na/c1-17-29(32(48)44(42-17)23-9-4-20(35)5-10-23)40-38-26-13-8-22(16-25(26)34(50)51)37-31(47)19-3-14-28(46)27(15-19)39-41-30-18(2)43-45(33(30)49)24-11-6-21(36)7-12-24;/h3-16,29-30,46H,35-36H2,1-2H3,(H,37,47)(H,50,51);

InChIKey

InChIKey=NNLXTCPZVWKZJB-UHFFFAOYSA-N

SMILES

O=C1N(N=C(C)C1N=NC2=C(C(O)=O)C=C(NC(=O)C3=CC(N=NC4C(=O)N(N=C4C)C5=CC=C(N)C=C5)=C(O)C=C3)C=C2)C6=CC=C(N)C=C6.[Na]

Canonical SMILES

[Na].O=C(O)C1=CC(=CC=C1N=NC2C(=O)N(N=C2C)C3=CC=C(N)C=C3)NC(=O)C4=CC=C(O)C(N=NC5C(=O)N(N=C5C)C6=CC=C(N)C=C6)=C4

Other Names for this Substance

Benzoic acid, 2-[2-[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-5-[[3-[2-[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxybenzoyl]amino]-, sodium salt (1:1)
Benzoic acid, 2-[[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[[3-[[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxybenzoyl]amino]-, monosodium salt