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Structure

2-[2-[3-Methyl-5-oxo-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]ethylidene]-3-benzoxazolinepropionic acid

CAS
72796-92-0
Catalog Number
ACM72796920
Category
Other Products
Molecular Weight
469.467160 [g/mol]
Molecular Formula
C22H19N3O7S

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Specification

Synonyms
CID6450433, CID 6450433, 2-(2-(3-Methyl-5-oxo-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene)ethylidene)-3-benzoxazolinepropionic acid, 3(2H)-Benzoxazolepropanoic acid, 2-((1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene)ethylidene)-, 3(2H)-Benzoxazolepropanoic acid, 2-(2-(1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene)ethylidene)-, 72796-92-0
IUPAC Name
3-[(2Z)-2-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid
Canonical SMILES
CC1=NN(C(=O)C1=CC=C2N(C3=CC=CC=C3O2)CCC(=O)O)C4=CC=C(C=C4)S(=O)(=O)O
InChI Key
CHDGOGCTVGHNTQ-HOYZAGQZSA-N
H-Bond Acceptor
9
H-Bond Donor
2
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