70236-51-0
2,7-NAPHTHALENEDISULFONIC ACID 4-HYDROXY-5-[[4-[[4-[[5-HYDROXY-6-[(2-METHOXY-5-SULFOPHENYL)AZO]-7-SULFO-2-NAPHTHALENYL]AMINO]-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL]AMINO]-5-METHOXY-2-METHYLPHENYL]AZO] TETRASODIUM SALT
Name
2,7-NAPHTHALENEDISULFONIC ACID 4-HYDROXY-5-[[4-[[4-[[5-HYDROXY-6-[(2-METHOXY-5-SULFOPHENYL)AZO]-7-SULFO-2-NAPHTHALENYL]AMINO]-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL]AMINO]-5-METHOXY-2-METHYLPHENYL]AZO] TETRASODIUM SALT
Formula
C44 H32 N10 O16 S4 . 4 Na
MolWeight
1177.01
1Identification
【Name】
2,7-NAPHTHALENEDISULFONIC ACID 4-HYDROXY-5-[[4-[[4-[[5-HYDROXY-6-[(2-METHOXY-5-SULFOPHENYL)AZO]-7-SULFO-2-NAPHTHALENYL]AMINO]-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL]AMINO]-5-METHOXY-2-METHYLPHENYL]AZO] TETRASODIUM SALT
【CAS】
【MDL】
MFCD23160558
【English Synonyms】
【Formula】
C44 H32 N10 O16 S4 . 4 Na
【MolWeight】
1177.01
【Inchi】
InChI=1S/C44H36N10O16S4.4Na/c1-22-13-32(37(70-3)21-31(22)51-53-34-19-28(72(60,61)62)15-24-16-29(73(63,64)65)20-35(55)39(24)34)47-44-49-42(45-25-7-5-4-6-8-25)48-43(50-44)46-26-9-11-30-23(14-26)17-38(74(66,67)68)40(41(30)56)54-52-33-18-27(71(57,58)59)10-12-36(33)69-2;;;;/h4-21,55-56H,1-3H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H3,45,46,47,48,49,50);;;;/q;4*+1/p-4/b53-51+,54-52+;;;;
【InChIKey】
InChIKey=ALPKFOALTCELEH-XHRANVDRSA-J
【SMILES】
Cc1cc(c(cc1/N=N/c2cc(cc3c2c(cc(c3)S(=O)(=O)[O-])O)S(=O)(=O)[O-])OC)Nc4nc(nc(n4)Nc5ccc6c(c5)cc(c(c6O)/N=N/c7cc(ccc7OC)S(=O)(=O)[O-])S(=O)(=O)[O-])Nc8ccccc8.[Na+].[Na+].[Na+].[Na+]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:26
XLogP3:7.0
Bulk/Fine:F