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1324-80-7 | Benzenesulfonic acid, [[4-[hydroxybis[4-(phenylamino)phenyl]methyl]phenyl]amino]-, monosodium salt (9CI)
CAS No: 1324-80-7 Catalog No: AG0010NH MDL No:MFCD00083221
Product Description
Catalog Number:
AG0010NH
Chemical Name:
Benzenesulfonic acid, [[4-[hydroxybis[4-(phenylamino)phenyl]methyl]phenyl]amino]-, monosodium salt (9CI)
CAS Number:
1324-80-7
Molecular Formula:
C37H30N3NaO4S
Molecular Weight:
635.7066
MDL Number:
MFCD00083221
IUPAC Name:
sodium;2-[4-[bis(4-anilinophenyl)-hydroxymethyl]anilino]benzenesulfonate
InChI:
InChI=1S/C37H31N3O4S.Na/c41-37(27-15-21-32(22-16-27)38-30-9-3-1-4-10-30,28-17-23-33(24-18-28)39-31-11-5-2-6-12-31)29-19-25-34(26-20-29)40-35-13-7-8-14-36(35)45(42,43)44;/h1-26,38-41H,(H,42,43,44);/q;+1/p-1
InChI Key:
BPCZPTGXEYXQRS-UHFFFAOYSA-M
SMILES:
OC(c1ccc(cc1)Nc1ccccc1S(=O)(=O)[O-])(c1ccc(cc1)Nc1ccccc1)c1ccc(cc1)Nc1ccccc1.[Na+]
Properties
Complexity:
951
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
635.185g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
635.714g/mol
Monoisotopic Mass:
635.185g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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