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85702-53-0 | STRONTIUM 3-NITRO-4-[[1-(PHENYLCARBAMOYL)ACETONYL]AZO]BENZENESULFONATE
CAS No: 85702-53-0 Catalog No: AG004PPE MDL No:
Product Description
Catalog Number:
AG004PPE
Chemical Name:
STRONTIUM 3-NITRO-4-[[1-(PHENYLCARBAMOYL)ACETONYL]AZO]BENZENESULFONATE
CAS Number:
85702-53-0
Molecular Formula:
C32H26N8O14S2Sr
Molecular Weight:
898.3440
IUPAC Name:
strontium;4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-nitrobenzenesulfonate
InChI:
InChI=1S/2C16H14N4O7S.Sr/c2*1-10(21)15(16(22)17-11-5-3-2-4-6-11)19-18-13-8-7-12(28(25,26)27)9-14(13)20(23)24;/h2*2-9,15H,1H3,(H,17,22)(H,25,26,27);/q;;+2/p-2
InChI Key:
IQKRSRCCAZSOHO-UHFFFAOYSA-L
SMILES:
CC(=O)C(C(=O)Nc1ccccc1)N=Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[O-].CC(=O)C(C(=O)Nc1ccccc1)N=Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[O-].[Sr+2]
EC Number:
288-244-6
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
898.007g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
898.342g/mol
Monoisotopic Mass:
898.007g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
365A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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