RefChem:566105

5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-[2-chloro-4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid

Also Known As: C.I. Mordant Violet 28|EINECS 231-223-3|Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[2-chloro-4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl-|5-[(3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-[2-chloro-4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid|5-[(3-CARBOXY-5-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENE)[2-CHLORO-4-(DIETHYLAMINO)PHENYL]METHYL]-3-METHYLSALICYLIC ACID|5-[(E)-(3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-[2-chloro-4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid|Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-chloro-4-(diethylamino)phenyl)methyl)-2-hydroxy-3-methyl-|Benzoic acid,5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[2-chloro-4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl-

Molecular Formula	C27H26ClNO6
Molecular Weight	495.14487 g/mol
LogP	5.24
Topological Polar Surface Area	115.14 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	495.14487
Heavy Atoms	35
Complexity	1331.4

Chemical Identifiers

CAS Number	7452-52-0
SMILES	CCN(CC)C1=CC(=C(C=C1)C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=CC(=C(C(=C3)C)O)C(=O)O)Cl