CID 16131232
Benzenesulfonic acid, 5-(2-(4-(2-(4-(2-(4-(2-(4-nitro-2-sulfophenyl)ethenyl)phenyl)-2-oxidodiazenyl)-2-sulfophenyl)ethenyl)-3-sulfophenyl)-1-oxidodiazenyl)-2-(2-(4-(2-(4-(2-(4-nitro-2-sulfophenyl)ethenyl)-3-sulfophenyl)-2-oxidodiazenyl)-2-sulfophenyl)ethenyl)-
Structural Information
- Molecular Formula
- C56H40N8O28S7
- SMILES
- C1=CC(=CC=C1/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)[N+](=NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N=[N+](C5=CC(=C(C=C5)/C=C/C6=C(C=C(C=C6)N=[N+](C7=CC(=C(C=C7)/C=C/C8=C(C=C(C=C8)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O)[O-]
- 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?
- InChIKey
- JROUDDQTYQOGHL-BKFQDEPDSA-N
- Compound 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
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1497.0071 | 243.6 |
[M+Na]+ | 1518.9890 | 254.9 |
[M-H]- | 1494.9925 | 256.3 |
[M+NH4]+ | 1514.0336 | 253.6 |
[M+K]+ | 1534.9630 | 247.6 |
[M+H-H2O]+ | 1478.9971 | 242.1 |
[M+HCOO]- | 1540.9980 | 254.8 |
[M+CH3COO]- | 1555.0137 | 256.8 |
[M+Na-2H]- | 1516.9745 | 288.8 |
[M]+ | 1495.9993 | 298.2 |
[M]- | 1496.0003 | 298.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.