CAS Registry Number®
7452-51-9
CAS Name
5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
Molecular Formula
C27H27NO6
Molecular Mass
461.51
Other Names and Identifiers
InChI
InChI=1S/C27H27NO6/c1-5-28(6-2)20-9-7-17(8-10-20)23(18-11-15(3)24(29)21(13-18)26(31)32)19-12-16(4)25(30)22(14-19)27(33)34/h7-14,29H,5-6H2,1-4H3,(H,31,32)(H,33,34)
InChIKey
InChIKey=MHXLUBGHVIPIGK-UHFFFAOYSA-N
SMILES
C(C1=CC(C(O)=O)=C(O)C(C)=C1)(=C2C=C(C(O)=O)C(=O)C(C)=C2)C3=CC=C(N(CC)CC)C=C3
Canonical SMILES
O=C(O)C1=CC(C=C(C1=O)C)=C(C2=CC=C(C=C2)N(CC)CC)C=3C=C(C(=O)O)C(O)=C(C3)C
Other Names for this Substance
- Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl-
- C.I. Mordant Violet 1
- 5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
- C.I. 43565
- Brilliant Monochrome Violet 2B
