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86349-52-2 | sodium 4-{[(3-hydroxynaphthalen-2-yl)carbonyl]amino}benzenesulfonate
CAS No: 86349-52-2 Catalog No: AG004QVN MDL No:
Product Description
Catalog Number:
AG004QVN
Chemical Name:
sodium 4-{[(3-hydroxynaphthalen-2-yl)carbonyl]amino}benzenesulfonate
CAS Number:
86349-52-2
Molecular Formula:
C17H12NNaO5S
Molecular Weight:
365.3356
IUPAC Name:
sodium;4-[(3-hydroxynaphthalene-2-carbonyl)amino]benzenesulfonate
InChI:
InChI=1S/C17H13NO5S.Na/c19-16-10-12-4-2-1-3-11(12)9-15(16)17(20)18-13-5-7-14(8-6-13)24(21,22)23;/h1-10,19H,(H,18,20)(H,21,22,23);/q;+1/p-1
InChI Key:
KSYKOTFPVXNHLD-UHFFFAOYSA-M
SMILES:
O=C(c1cc2ccccc2cc1O)Nc1ccc(cc1)S(=O)(=O)[O-].[Na+]
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.033g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.335g/mol
Monoisotopic Mass:
365.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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