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15782-04-4 | Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, barium salt (2:1)
CAS No: 15782-04-4 Catalog No: AG001PQS MDL No:
Product Description
Catalog Number:
AG001PQS
Chemical Name:
Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, barium salt (2:1)
CAS Number:
15782-04-4
Molecular Formula:
C32H22BaN4O8S2
Molecular Weight:
791.9961
IUPAC Name:
barium(2+);4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate
InChI:
InChI=1S/2C16H12N2O4S.Ba/c2*19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22;/h2*1-10,19H,(H,20,21,22);/q;;+2/p-2
InChI Key:
BEXFCYUYPJZRLU-UHFFFAOYSA-L
SMILES:
Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)[O-])cccc2.Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)[O-])cccc2.[Ba+2]
EC Number:
239-878-7
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
791.993g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
791.995g/mol
Monoisotopic Mass:
791.993g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
221A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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