36913-07-2
4-(1,8-DIHYDROXY-3,6-DISULFO-2-NAPHTHYLAZO)-SALICYLIC ACID
Name4-(1,8-DIHYDROXY-3,6-DISULFO-2-NAPHTHYLAZO)-SALICYLIC ACID
1Identification
【Name】
4-(1,8-DIHYDROXY-3,6-DISULFO-2-NAPHTHYLAZO)-SALICYLIC ACID
【CAS】
【MDL】
MFCD00082916
【English Synonyms】
【Formula】
C17 H12 N2 O11 S2
【MolWeight】
484.417
【Inchi】
InChI=1S/C17H12N2O11S2/c20-11-5-8(1-2-10(11)17(23)24)18-19-15-13(32(28,29)30)4-7-3-9(31(25,26)27)6-12(21)14(7)16(15)22/h1-6,20-22H,(H,23,24)(H,25,26,27)(H,28,29,30)/b19-18+
【InChIKey】
InChIKey=AVQNYAVVZFBCKZ-VHEBQXMUSA-N
【SMILES】
c1cc(c(cc1/N=N/c2c(cc3cc(cc(c3c2O)O)S(=O)(=O)O)S(=O)(=O)O)O)C(=O)O
【MOL File】
4-(1,8-DIHYDROXY-3,6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:13
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(1,8-DIHYDROXY-3,6-DISULFO-2-NAPHTHYLAZO)-SALICYLIC ACID.cml