SpectraBase Compound ID | 3cpBp5HfdoR |
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InChI | InChI=1S/C39H28N6O7S4.2Na/c1-3-52-27-12-10-26(11-13-27)43-44-31-18-19-32(30-21-28(55(46,47)48)14-15-29(30)31)45-42-25-8-5-23(6-9-25)38-40-33-17-7-24(20-35(33)53-38)39-41-34-16-4-22(2)37(36(34)54-39)56(49,50)51;;/h4-21H,3H2,1-2H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2 |
InChIKey | JNAZMORKATVTFY-UHFFFAOYSA-L |
Mol Weight | 864.89153856 g/mol |
Molecular Formula | C39H26N6Na2O7S4 |
Exact Mass | 864.05412 g/mol |
SpectraBase Spectrum ID | JBEFP1LZsYk |
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Name | Primulin->1,6-cleveacid->phenol/ethyliert[2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-[4-[[4-[(4-ethoxyphenyl)azo]-7-sulfo-1-naphthalenyl]azo]phenyl]-6-methyl-, disodium salt |
CAS Registry Number | 6406-35-5 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C39H26N6Na2O7S4 |
InChI | InChI=1S/C39H28N6O7S4.2Na/c1-3-52-27-12-10-26(11-13-27)43-44-31-18-19-32(30-21-28(55(46,47)48)14-15-29(30)31)45-42-25-8-5-23(6-9-25)38-40-33-17-7-24(20-35(33)53-38)39-41-34-16-4-22(2)37(36(34)54-39)56(49,50)51;;/h4-21H,3H2,1-2H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2 |
InChIKey | JNAZMORKATVTFY-UHFFFAOYSA-L |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |