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115058-21-4 | 2-Naphthalenesulfonic acid, 6,6'-(carbonyldiimino)bis- (9CI)
CAS No: 115058-21-4 Catalog No: AG000FTP MDL No:
Product Description
Catalog Number:
AG000FTP
Chemical Name:
2-Naphthalenesulfonic acid, 6,6'-(carbonyldiimino)bis- (9CI)
CAS Number:
115058-21-4
Molecular Formula:
C21H16N2O7S2
Molecular Weight:
472.4909
IUPAC Name:
6-[(6-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid
InChI:
InChI=1S/C21H16N2O7S2/c24-21(22-17-5-1-15-11-19(31(25,26)27)7-3-13(15)9-17)23-18-6-2-16-12-20(32(28,29)30)8-4-14(16)10-18/h1-12H,(H2,22,23,24)(H,25,26,27)(H,28,29,30)
InChI Key:
YIGGIAXHUTUTPG-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)ccc(c2)S(=O)(=O)O)Nc1ccc2c(c1)ccc(c2)S(=O)(=O)O
Properties
Complexity:
824
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.04g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
472.486g/mol
Monoisotopic Mass:
472.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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