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30255-64-2 | 1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[2-[4-[2-(5-sulfo-1-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-
CAS No: 30255-64-2 Catalog No: AG002ZDS MDL No:
Product Description
Catalog Number:
AG002ZDS
Chemical Name:
1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[2-[4-[2-(5-sulfo-1-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-
CAS Number:
30255-64-2
Molecular Formula:
C36H25N5O6S2
Molecular Weight:
687.7436
IUPAC Name:
8-anilino-5-[[4-[(5-sulfonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
InChI:
InChI=1S/C36H25N5O6S2/c42-48(43,44)34-17-7-13-26-27(34)14-6-16-29(26)38-39-30-19-20-31(25-12-5-4-11-24(25)30)40-41-32-21-22-33(37-23-9-2-1-3-10-23)36-28(32)15-8-18-35(36)49(45,46)47/h1-22,37H,(H,42,43,44)(H,45,46,47)
InChI Key:
JWRKFFQQNVQJLW-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1cccc2c1c(ccc2N=Nc1ccc(c2c1cccc2)N=Nc1cccc2c1cccc2S(=O)(=O)O)Nc1ccccc1
EC Number:
250-102-6
Properties
Complexity:
1390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
687.125g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
687.745g/mol
Monoisotopic Mass:
687.125g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
187A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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