7488-76-8
8-(4-ANILINO-5-SULFO-1-NAPHTHYLAZO)-1-NAPHTHOL-3,6-DISULFONIC ACID
Name8-(4-ANILINO-5-SULFO-1-NAPHTHYLAZO)-1-NAPHTHOL-3,6-DISULFONIC ACID
1Identification
【Name】
8-(4-ANILINO-5-SULFO-1-NAPHTHYLAZO)-1-NAPHTHOL-3,6-DISULFONIC ACID
【CAS】
【MDL】
MFCD00069520
【English Synonyms】
【Formula】
C26 H19 N3 O10 S3
【MolWeight】
629.645
【Inchi】
InChI=1S/C26H19N3O10S3/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)/b29-28+
【InChIKey】
InChIKey=QFVHZQCOUORWEI-ZQHSETAFSA-N
【SMILES】
c1ccc(cc1)Nc2ccc(c3c2c(ccc3)S(=O)(=O)O)/N=N/c4cc(cc5c4c(cc(c5)S(=O)(=O)O)O)S(=O)(=O)O
【MOL File】
8-(4-ANILINO-5-SULFO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:13
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-(4-ANILINO-5-SULFO-1-NAPHTHYLAZO)-1-NAPHTHOL-3,6-DISULFONIC ACID.cml