![Benzenesulfonic acid, 3,3'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis[5-[(3-aminobenzoyl)amino]-4-methyl-, disodium salt](/api/spectrum/JiNOHDOm8u4/structure.png?h=300&w=458 "Benzenesulfonic acid, 3,3'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis[5-[(3-aminobenzoyl)amino]-4-methyl-, disodium salt")
| SpectraBase Compound ID | 2sHO0DcJkm7 |
|---|---|
| InChI | InChI=1S/C45H44N10O11S2.2Na/c1-23-13-39(41(65-5)21-33(23)52-54-37-19-31(67(59,60)61)17-35(25(37)3)48-43(56)27-9-7-11-29(46)15-27)50-45(58)51-40-14-24(2)34(22-42(40)66-6)53-55-38-20-32(68(62,63)64)18-36(26(38)4)49-44(57)28-10-8-12-30(47)16-28;;/h7-22H,46-47H2,1-6H3,(H,48,56)(H,49,57)(H2,50,51,58)(H,59,60,61)(H,62,63,64);;/q;2*+1/p-2/b54-52+,55-53+;; |
| InChIKey | UFXFFPHSVUXOJC-TVGJKAOASA-L |
| Mol Weight | 1008.98953856 g/mol |
| Molecular Formula | C45H42N10Na2O11S2 |
| Exact Mass | 1008.227133 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | JiNOHDOm8u4 |
|---|---|
| Name | Benzenesulfonic acid, 3,3'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis[5-[(3-aminobenzoyl)amino]-4-methyl-, disodium salt |
| CAS Registry Number | 6420-36-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C45H42N10Na2O11S2 |
| InChI | InChI=1S/C45H44N10O11S2.2Na/c1-23-13-39(41(65-5)21-33(23)52-54-37-19-31(67(59,60)61)17-35(25(37)3)48-43(56)27-9-7-11-29(46)15-27)50-45(58)51-40-14-24(2)34(22-42(40)66-6)53-55-38-20-32(68(62,63)64)18-36(26(38)4)49-44(57)28-10-8-12-30(47)16-28;;/h7-22H,46-47H2,1-6H3,(H,48,56)(H,49,57)(H2,50,51,58)(H,59,60,61)(H,62,63,64);;/q;2*+1/p-2/b54-52+,55-53+;; |
| InChIKey | UFXFFPHSVUXOJC-TVGJKAOASA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |