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2481-91-6 | 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 1-[(2-hydroxy-1-naphthalenyl)methyl]-2-naphthalenyl ester
CAS No: 2481-91-6 Catalog No: AG002PIZ MDL No:
Product Description
Catalog Number:
AG002PIZ
Chemical Name:
1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 1-[(2-hydroxy-1-naphthalenyl)methyl]-2-naphthalenyl ester
CAS Number:
2481-91-6
Molecular Formula:
C31H20N2O5S
Molecular Weight:
532.5659
IUPAC Name:
2-diazonio-5-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxysulfonylnaphthalen-1-olate
InChI:
InChI=1S/C31H20N2O5S/c32-33-27-15-14-23-24(31(27)35)10-5-11-30(23)39(36,37)38-29-17-13-20-7-2-4-9-22(20)26(29)18-25-21-8-3-1-6-19(21)12-16-28(25)34/h1-17H,18H2,(H-,34,35)
InChI Key:
YBCLDJLXKASHPJ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1C=Cc2c(C1=O)cccc2S(=O)(=O)Oc1ccc2c(c1Cc1c(O)ccc3c1cccc3)cccc2
EC Number:
219-615-2
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.109g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
532.57g/mol
Monoisotopic Mass:
532.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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