Cas no 1325-89-9 (5-[(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-[4-(4-methylanilino)phenyl]methyl]-2-hydroxy-3-methyl-benzoic acid; sulfurous acid)

5-[(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-[4-(4-methylanilino)phenyl]methyl]-2-hydroxy-3-methyl-benzoic acid; sulfurous acid structure
1325-89-9 structure
Product Name:5-[(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-[4-(4-methylanilino)phenyl]methyl]-2-hydroxy-3-methyl-benzoic acid; sulfurous acid
CAS No:1325-89-9
MF:C30H27NO9S
MW:577.601687669754
CID:1230613
Update Time:2024-08-04

5-[(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-[4-(4-methylanilino)phenyl]methyl]-2-hydroxy-3-methyl-benzoic acid; sulfurous acid Chemical and Physical Properties

Names and Identifiers

    • benzoic a<wbr>
    • LogP
    • 5-[(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-[4-(4-methylanilino)phenyl]methyl]-2-hydroxy-3-methyl-benzoic acid
    • sulfurous acid
    • Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-[(4-methylphenyl)amino]phenyl]methyl]-2-hydroxy-3-methyl-, sulfite (salt)
    • C.I.Mordant Violet 19:C.I.43551
    • Mordant Violet 19
    • 5-[(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-[4-(4-methylanilino)phenyl]methyl]-2-hydroxy-3-methyl-benzoic acid; sulfurous acid
    • Inchi: 1S/C30H25NO6.H2O3S/c1-16-4-8-22(9-5-16)31-23-10-6-19(7-11-23)26(20-12-17(2)27(32)24(14-20)29(34)35)21-13-18(3)28(33)25(15-21)30(36)37;1-4(2)3/h4-15,31-32H,1-3H3,(H,34,35)(H,36,37);(H2,1,2,3)/b26-21+;
    • InChI Key: HLZSVIDIPBLHRA-HCPJHKKFSA-N
    • SMILES: C(O)(=O)C1=CC(/C(=C2\C=C(C)C(=O)C(C(O)=O)=C\2)/C2=CC=C(NC3=CC=C(C)C=C3)C=C2)=CC(C)=C1O.S(O)(O)=O

Computed Properties

  • Exact Mass: 577.14071

Experimental Properties

  • PSA: 181.46
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