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Home > Nitro Compounds > 66214-55-9
66214-55-9 | Benzenesulfonic acid, 5-[[4-[2-[4-[[4-[2-(4-nitro-2-sulfophenyl)ethenyl]phenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-NNO-azoxy]-2-[2-[4-[[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]-
CAS No: 66214-55-9 Catalog No: AG00FJ92 MDL No:
Product Description
Catalog Number:
AG00FJ92
Chemical Name:
Benzenesulfonic acid, 5-[[4-[2-[4-[[4-[2-(4-nitro-2-sulfophenyl)ethenyl]phenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-NNO-azoxy]-2-[2-[4-[[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]-
CAS Number:
66214-55-9
IUPAC Name:
[4-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]phenyl]-[4-[(E)-2-[4-[[[4-[(E)-2-[4-[[[4-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-oxidoazaniumylidene]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-oxidoazaniumylidene]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]imino-oxidoazanium
InChI:
InChI=1S/C56H40N8O28S7/c65-60(45-21-2-34(3-22-45)1-4-35-16-25-48(63(68)69)32-55(35)98(87,88)89)57-42-18-11-36(50(27-42)93(72,73)74)5-6-37-12-19-43(28-51(37)94(75,76)77)58-61(66)46-23-14-39(53(30-46)96(81,82)83)8-7-38-13-20-44(29-52(38)95(78,79)80)59-62(67)47-24-15-40(54(31-47)97(84,85)86)9-10-41-17-26-49(64(70)71)33-56(41)99(90,91)92/h1-33H,(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)/b4-1+,6-5+,8-7+,10-9+,60-57?,61-58?,62-59?
InChI Key:
JROUDDQTYQOGHL-BKFQDEPDSA-N
EC Number:
266-255-7
Properties
Complexity:
3950
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
1496g/mol
Formal Charge:
0
Heavy Atom Count:
99
Hydrogen Bond Acceptor Count:
31
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
1497.384g/mol
Monoisotopic Mass:
1496g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
654A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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