SpectraBase Compound ID | L4WsPONIRtV |
---|---|
InChI | InChI=1S/C40H31N7O13S2.2Na/c48-28-11-15-30(34(50)20-28)46-44-25-6-2-23(3-7-25)39(53)42-32-13-1-22(17-36(32)61(55,56)57)18-38(52)41-27-10-14-33(37(19-27)62(58,59)60)43-40(54)24-4-8-26(9-5-24)45-47-31-16-12-29(49)21-35(31)51;;/h1-17,19-21,48-51H,18H2,(H,41,52)(H,42,53)(H,43,54)(H,55,56,57)(H,58,59,60);;/q;2*+1/p-2/b46-44-,47-45-;; |
InChIKey | PVVLHJKVUIBDBP-KRVMIEOPSA-L |
Mol Weight | 925.80753856 g/mol |
Molecular Formula | C40H29N7Na2O13S2 |
Exact Mass | 925.106015 g/mol |
SpectraBase Spectrum ID | 9Up3wbJ0DNb |
---|---|
Name | Disodium 2-({4-[(2,4-dihydroxyphenyl)diazenyl]benzoyl}amino)-5-({[4-({4-[(2,4-dihydroxyphenyl)diazenyl]benzoyl}amino)-3-sulfonatophenyl]acetyl}amino)benzenesulfonate |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C40H29N7Na2O13S2 |
InChI | InChI=1S/C40H31N7O13S2.2Na/c48-28-11-15-30(34(50)20-28)46-44-25-6-2-23(3-7-25)39(53)42-32-13-1-22(17-36(32)61(55,56)57)18-38(52)41-27-10-14-33(37(19-27)62(58,59)60)43-40(54)24-4-8-26(9-5-24)45-47-31-16-12-29(49)21-35(31)51;;/h1-17,19-21,48-51H,18H2,(H,41,52)(H,42,53)(H,43,54)(H,55,56,57)(H,58,59,60);;/q;2*+1/p-2/b46-44-,47-45-;; |
InChIKey | PVVLHJKVUIBDBP-KRVMIEOPSA-L |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |